 Entering Gaussian System, Link 0=g16
 Input=05_alphapinene_STD_LCPBE_augccpVDZ.in
 Output=05_alphapinene_STD_LCPBE_augccpVDZ.log
 AtFile(1): /user/pierpa/basis_sets/augccpVDZ.gbs
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            ****
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            ****
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            ****
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            ****
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            ****
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            ****
            -Mn     0
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                  1.349768D+05          -8.570592D-06
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                  6.554800D-02           5.755741D-01
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            S    20   1.00
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                  5.931155D+05          -3.282099D-06
                  1.349768D+05          -1.667433D-05
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            S    1   1.00
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            ****
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                  5.188690D+01          -2.607900D-02
                  1.934190D+01          -1.082310D-01
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            ****
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                  8.715234D+05           6.647410D-05
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                  1.921470D-01           1.433224D-02
                  8.759500D-02          -6.671210D-03
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            S    20   1.00
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                  8.715234D+05           1.552973D-06
                  1.983350D+05           8.161259D-06
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                  8.759500D-02          -5.693429D-01
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                  8.715234D+05          -4.336894D-06
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            P    16   1.00
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                  1.876862D+03           1.440000D-04
                  7.182361D+02           6.450000D-04
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            P    16   1.00
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                  1.747518D+00           3.609760D-01
                  6.995600D-01           2.716570D-01
                  2.516080D-01           1.049810D-01
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                  6.144981D+01           2.617600D-02
                  2.305689D+01           1.113670D-01
                  9.577739D+00           3.045810D-01
                  4.133734D+00           3.862990D-01
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                  6.995600D-01          -5.388760D-01
                  2.516080D-01          -3.454730D-01
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                  1.461500D+00           7.546420D-01
            F    1   1.00
                  5.486100D-01           1.000000D+00
            ****
            -Ga     0
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                  7.271900D+04           1.604700D-03
                  1.655200D+04           8.340200D-03
                  4.687800D+03           3.402480D-02
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            S    14   1.00
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            S    14   1.00
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            D    1   1.00
                  0.0537000              1.0000000
            ****
            -Ge     0
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            ****
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            ****
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                  1.060579D+03           1.274240D-02
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                  1.289984D+02           2.085635D-01
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                  2.295942D+01           3.878103D-01
                  9.507300D+00           1.003820D-01
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                  1.750446D+00           2.713900D-03
                  5.291900D-01          -6.977000D-04
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            P    11   1.00
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                  1.060579D+03          -5.221200D-03
                  3.422081D+02          -2.684630D-02
                  1.289984D+02          -9.158230D-02
                  5.308722D+01          -1.968164D-01
                  2.295942D+01          -1.634750D-01
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                  4.083055D+00           5.981592D-01
                  1.750446D+00           2.750453D-01
                  5.291900D-01           1.277060D-02
                  1.643690D-01          -1.013500D-03
            P    11   1.00
                  4.474270D+03           1.701000D-04
                  1.060579D+03           1.406400D-03
                  3.422081D+02           7.396300D-03
                  1.289984D+02           2.482540D-02
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                  2.295942D+01           4.121320D-02
                  9.507300D+00          -8.760570D-02
                  4.083055D+00          -2.440586D-01
                  1.750446D+00          -2.950070D-02
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            P    1   1.00
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            D    5   1.00
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                  3.346525D+01           1.321620D-01
                  1.183046D+01           3.633484D-01
                  4.339771D+00           4.929582D-01
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            D    1   1.00
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            ****
            -Y     0
            S    7   1.00
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                 16.6827000             -0.0497340
                 10.4235000              0.1315590
                  3.0952600             -0.5243820
                  0.7079710              0.7863790
                  0.3225670              0.4639580
                  0.0690850              0.0204860
            S    7   1.00
                 29.2935000             -0.0013580
                 16.6827000              0.0123920
                 10.4235000             -0.0375720
                  3.0952600              0.1741090
                  0.7079710             -0.3385090
                  0.3225670             -0.3354170
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            S    7   1.00
                 29.2935000              0.0112420
                 16.6827000             -0.0574010
                 10.4235000              0.1106480
                  3.0952600             -0.3769430
                  0.7079710              1.2026360
                  0.3225670             -0.4875820
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            S    1   1.00
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            P    6   1.00
                  9.0271500              0.0203960
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                  0.4727970              0.4983480
                  0.2197340              0.1957420
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            P    6   1.00
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                  0.9906740             -0.1495270
                  0.4727970             -0.2243370
                  0.2197340             -0.0114700
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            P    6   1.00
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                  4.0242700             -0.0963010
                  0.9906740              0.2986850
                  0.4727970              0.8892190
                  0.2197340             -1.4854780
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            P    1   1.00
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            D    5   1.00
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                  0.5614050              0.2962740
                  0.2267020              0.3908730
                  0.0879490              0.3539610
            D    5   1.00
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                  1.3201900             -0.1499100
                  0.5614050             -0.3732930
                  0.2267020             -0.3129870
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
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            ****
            -Zr     0
            S    7   1.00
                 53.4460000              0.0014860
                 17.0981000             -0.0365920
                 10.6875000              0.1321550
                  3.3913400             -0.5464540
                  0.7884750              0.8022910
                  0.3599820              0.4583040
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            S    7   1.00
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                 17.0981000              0.0096310
                 10.6875000             -0.0390430
                  3.3913400              0.1847170
                  0.7884750             -0.3584690
                  0.3599820             -0.3208280
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            S    7   1.00
                 53.4460000              0.0028110
                 17.0981000             -0.0412920
                 10.6875000              0.1148910
                  3.3913400             -0.4348090
                  0.7884750              1.4174320
                  0.3599820             -0.7286190
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            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                  9.9011600              0.0214360
                  4.4181900             -0.1604130
                  1.0931000              0.4543260
                  0.5187860              0.4991190
                  0.2363630              0.1777830
                  0.0847070              0.0104040
            P    6   1.00
                  9.9011600             -0.0058310
                  4.4181900              0.0481520
                  1.0931000             -0.1600800
                  0.5187860             -0.2201350
                  0.2363630              0.0355150
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            P    6   1.00
                  9.9011600             -0.0078290
                  4.4181900              0.0660080
                  1.0931000             -0.2113740
                  0.5187860             -0.3575490
                  0.2363630              0.1703870
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            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  1.5708900              0.1278490
                  0.6923540              0.3219090
                  0.2904140              0.3998190
                  0.1158780              0.3194760
            D    5   1.00
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                  1.5708900             -0.1579890
                  0.6923540             -0.3979000
                  0.2904140             -0.2555990
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
                  0.0891000              1.0000000
            ****
            -Nb     0
            S    7   1.00
                 80.8096000              0.0008890
                 17.9220000             -0.0347930
                 11.2050000              0.1389100
                  3.6990100             -0.5655680
                  0.8712090              0.8147210
                  0.3974440              0.4547970
                  0.0854690              0.0200510
            S    7   1.00
                 80.8096000             -0.0002000
                 17.9220000              0.0093020
                 11.2050000             -0.0414910
                  3.6990100              0.1923710
                  0.8712090             -0.3713520
                  0.3974440             -0.3068350
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            S    7   1.00
                 80.8096000              0.0015640
                 17.9220000             -0.0382840
                 11.2050000              0.1209450
                  3.6990100             -0.4647790
                  0.8712090              1.5031600
                  0.3974440             -0.8262330
                  0.0854690             -1.5845850
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 10.6457000              0.0234360
                  4.8235100             -0.1683110
                  1.2030900              0.4693810
                  0.5695080              0.4980520
                  0.2569700              0.1675400
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            P    6   1.00
                 10.6457000             -0.0064960
                  4.8235100              0.0513810
                  1.2030900             -0.1706080
                  0.5695080             -0.2198720
                  0.2569700              0.0561670
                  0.0929460              0.6165950
            P    6   1.00
                 10.6457000             -0.0091300
                  4.8235100              0.0732300
                  1.2030900             -0.2370360
                  0.5695080             -0.3685640
                  0.2569700              0.2364390
                  0.0929460              0.8267330
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  4.5456300             -0.0104650
                  1.8272300              0.1305530
                  0.8257640              0.3347580
                  0.3551560              0.4020270
                  0.1447240              0.3008350
            D    5   1.00
                  4.5456300              0.0105280
                  1.8272300             -0.1615000
                  0.8257640             -0.4113720
                  0.3551560             -0.2117820
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            D    1   1.00
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            D    1   1.00
                  0.0204000              1.0000000
            F    1   1.00
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            F    1   1.00
                  0.1387000              1.0000000
            ****
            -Mo     0
            S    7   1.00
                106.9780000              0.0007350
                 18.8824000             -0.0350900
                 11.8077000              0.1473480
                  4.0211800             -0.5833630
                  0.9568160              0.8256350
                  0.4356920              0.4523110
                  0.0925180              0.0190550
            S    7   1.00
                106.9780000             -0.0001760
                 18.8824000              0.0093320
                 11.8077000             -0.0438110
                  4.0211800              0.1972320
                  0.9568160             -0.3773110
                  0.4356920             -0.2939670
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            S    7   1.00
                106.9780000              0.0011660
                 18.8824000             -0.0376070
                 11.8077000              0.1259800
                  4.0211800             -0.4752370
                  0.9568160              1.4989830
                  0.4356920             -0.8223450
                  0.0925180             -1.5606240
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 11.4118000              0.0253450
                  5.2453500             -0.1752130
                  1.3188400              0.4812720
                  0.6229830              0.4972610
                  0.2791080              0.1595550
                  0.1005260              0.0075430
            P    6   1.00
                 11.4118000             -0.0070220
                  5.2453500              0.0533390
                  1.3188400             -0.1756430
                  0.6229830             -0.2162130
                  0.2791080              0.0679580
                  0.1005260              0.6128160
            P    6   1.00
                 11.4118000             -0.0104200
                  5.2453500              0.0798670
                  1.3188400             -0.2629000
                  0.6229830             -0.3651840
                  0.2791080              0.2866730
                  0.1005260              0.8002580
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  5.2576100             -0.0147610
                  2.1046200              0.1319820
                  0.9582010              0.3470860
                  0.4140470              0.4054710
                  0.1684500              0.2880580
            D    5   1.00
                  5.2576100              0.0154390
                  2.1046200             -0.1606210
                  0.9582010             -0.4232290
                  0.4140470             -0.1923390
                  0.1684500              0.5314590
            D    1   1.00
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            D    1   1.00
                  0.0231000              1.0000000
            F    1   1.00
                  0.6007000              1.0000000
            F    1   1.00
                  0.1850000              1.0000000
            ****
            -Tc     0
            S    7   1.00
                132.6560000              0.0006860
                 19.8986000             -0.0360010
                 12.4450000              0.1564650
                  4.3605000             -0.5995730
                  1.0443600              0.8357100
                  0.4741590              0.4490550
                  0.0987360              0.0183780
            S    7   1.00
                132.6560000             -0.0001680
                 19.8986000              0.0093110
                 12.4450000             -0.0455350
                  4.3605000              0.1986020
                  1.0443600             -0.3749740
                  0.4741590             -0.2817600
                  0.0987360              0.6329980
            S    7   1.00
                132.6560000              0.0009800
                 19.8986000             -0.0378410
                 12.4450000              0.1317670
                  4.3605000             -0.4834180
                  1.0443600              1.4848540
                  0.4741590             -0.8047310
                  0.0987360             -1.5511910
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 12.1789000              0.0273140
                  5.6848400             -0.1814030
                  1.4398300              0.4908910
                  0.6789090              0.4965410
                  0.3025150              0.1532990
                  0.1073070              0.0067000
            P    6   1.00
                 12.1789000             -0.0074300
                  5.6848400              0.0541370
                  1.4398300             -0.1762270
                  0.6789090             -0.2096540
                  0.3025150              0.0734980
                  0.1073070              0.6070490
            P    6   1.00
                 12.1789000             -0.0116300
                  5.6848400              0.0854050
                  1.4398300             -0.2844050
                  0.6789090             -0.3578760
                  0.3025150              0.3260330
                  0.1073070              0.7801240
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  2.3642400              0.1344070
                  1.0887100              0.3547260
                  0.4740600              0.4044790
                  0.1936070              0.2788770
            D    5   1.00
                  5.7601300              0.0169910
                  2.3642400             -0.1548960
                  1.0887100             -0.4281920
                  0.4740600             -0.1789920
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            D    1   1.00
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            D    1   1.00
                  0.0264000              1.0000000
            F    1   1.00
                  0.7228000              1.0000000
            F    1   1.00
                  0.2272000              1.0000000
            ****
            -Ru     0
            S    7   1.00
                159.3720000              0.0006730
                 20.9016000             -0.0371610
                 13.0741000              0.1665170
                  4.7147400             -0.6159540
                  1.1361200              0.8428300
                  0.5154640              0.4477630
                  0.1067670              0.0184450
            S    7   1.00
                159.3720000             -0.0001690
                 20.9016000              0.0093920
                 13.0741000             -0.0477130
                  4.7147400              0.2011130
                  1.1361200             -0.3734210
                  0.5154640             -0.2738590
                  0.1067670              0.6093840
            S    7   1.00
                159.3720000              0.0008950
                 20.9016000             -0.0396350
                 13.0741000              0.1442430
                  4.7147400             -0.5192870
                  1.1361200              1.5854040
                  0.5154640             -0.9082030
                  0.1067670             -1.4720020
            S    1   1.00
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            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                 12.8738000              0.0299680
                  6.1475000             -0.1879300
                  1.5652400              0.4999900
                  0.7361940              0.4957320
                  0.3263170              0.1475150
                  0.1124070              0.0060880
            P    6   1.00
                 12.8738000             -0.0078010
                  6.1475000              0.0536560
                  1.5652400             -0.1719400
                  0.7361940             -0.1991700
                  0.3263170              0.0744110
                  0.1124070              0.5971370
            P    6   1.00
                 12.8738000             -0.0135020
                  6.1475000              0.0937330
                  1.5652400             -0.3159100
                  0.7361940             -0.3618000
                  0.3263170              0.4008770
                  0.1124070              0.7537660
            P    1   1.00
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            P    1   1.00
                  0.0137000              1.0000000
            D    5   1.00
                  6.2126500             -0.0245970
                  2.7853900              0.1273340
                  1.2685100              0.3570810
                  0.5517900              0.4082070
                  0.2247310              0.2812400
            D    5   1.00
                  6.2126500              0.0261160
                  2.7853900             -0.1459400
                  1.2685100             -0.4425210
                  0.5517900             -0.1690200
                  0.2247310              0.5052370
            D    1   1.00
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            D    1   1.00
                  0.0302000              1.0000000
            F    1   1.00
                  0.8500000              1.0000000
            F    1   1.00
                  0.2719000              1.0000000
            ****
            -Rh     0
            S    7   1.00
                184.6660000              0.0006920
                 21.9974000             -0.0383930
                 13.7616000              0.1760190
                  5.0872000             -0.6299250
                  1.2294000              0.8495440
                  0.5568140              0.4457290
                  0.1140670              0.0182040
            S    7   1.00
                184.6660000             -0.0001780
                 21.9974000              0.0094560
                 13.7616000             -0.0494720
                  5.0872000              0.2018670
                  1.2294000             -0.3698090
                  0.5568140             -0.2653310
                  0.1140670              0.5891540
            S    7   1.00
                184.6660000              0.0008370
                 21.9974000             -0.0402860
                 13.7616000              0.1506490
                  5.0872000             -0.5268510
                  1.2294000              1.5723820
                  0.5568140             -0.8876430
                  0.1140670             -1.4709450
            S    1   1.00
                  0.0414150              1.0000000
            S    1   1.00
                  0.0150000              1.0000000
            P    6   1.00
                 13.6985000              0.0318210
                  6.6247600             -0.1930280
                  1.6961300              0.5062420
                  0.7973510              0.4949020
                  0.3520340              0.1440300
                  0.1233420              0.0056080
            P    6   1.00
                 13.6985000             -0.0085830
                  6.6247600              0.0568110
                  1.6961300             -0.1801720
                  0.7973510             -0.2034110
                  0.3520340              0.0848180
                  0.1233420              0.6010570
            P    6   1.00
                 13.6985000             -0.0151640
                  6.6247600              0.1011250
                  1.6961300             -0.3456410
                  0.7973510             -0.3454850
                  0.3520340              0.4221020
                  0.1233420              0.7304790
            P    1   1.00
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            P    1   1.00
                  0.0151000              1.0000000
            D    5   1.00
                 18.7370000              0.0064810
                 11.7046000             -0.0139420
                  2.2555800              0.2506820
                  0.9494110              0.4511110
                  0.3661640              0.3839990
            D    5   1.00
                 18.7370000             -0.0075900
                 11.7046000              0.0162940
                  2.2555800             -0.3347730
                  0.9494110             -0.4463960
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            D    1   1.00
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            D    1   1.00
                  0.0420000              1.0000000
            F    1   1.00
                  0.9936000              1.0000000
            F    1   1.00
                  0.3222000              1.0000000
            ****
            -Pd     0
            S    7   1.00
                208.1230000              0.0007270
                 22.8525000             -0.0409280
                 14.2986000              0.1922850
                  5.4880100             -0.6501040
                  1.3253200              0.8565530
                  0.5989570              0.4438760
                  0.1209830              0.0178500
            S    7   1.00
                208.1230000             -0.0001890
                 22.8525000              0.0098180
                 14.2986000             -0.0528760
                  5.4880100              0.2035110
                  1.3253200             -0.3639350
                  0.5989570             -0.2582190
                  0.1209830              0.5704320
            S    7   1.00
                208.1230000              0.0008000
                 22.8525000             -0.0417810
                 14.2986000              0.1593620
                  5.4880100             -0.5231230
                  1.3253200              1.4917730
                  0.5989570             -0.7916960
                  0.1209830             -1.5172540
            S    1   1.00
                  0.0434590              1.0000000
            S    1   1.00
                  0.0156000              1.0000000
            P    6   1.00
                 14.0509000              0.0379970
                  7.1390600             -0.2040770
                  1.8300700              0.5137680
                  0.8583350              0.4942400
                  0.3772750              0.1402910
                  0.1256960              0.0051570
            P    6   1.00
                 14.0509000             -0.0093130
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                  0.4340380             -0.3195670
                  0.1050310              0.6651050
            S    7   1.00
                 29.8670000              0.0324720
                 18.7203000             -0.1723550
                 11.7533000              0.3341840
                  4.5708900             -0.5725580
                  0.9478400              1.3652610
                  0.4340380             -0.6032250
                  0.1050310             -1.7315730
            S    1   1.00
                  0.0389480              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                  7.3652400              0.1796820
                  4.7544000             -0.5211000
                  2.9959500              0.1911040
                  0.9941230              0.6464550
                  0.4196000              0.4240400
                  0.1182390              0.0425600
            P    6   1.00
                  7.3652400             -0.0508780
                  4.7544000              0.1495500
                  2.9959500             -0.0507540
                  0.9941230             -0.2483790
                  0.4196000             -0.1478010
                  0.1182390              0.5415390
            P    6   1.00
                  7.3652400             -0.0697670
                  4.7544000              0.2016550
                  2.9959500             -0.0482900
                  0.9941230             -0.4247200
                  0.4196000             -0.1275720
                  0.1182390              0.9415430
            P    1   1.00
                  0.0401010              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  7.5616000              0.0178690
                  4.7408700             -0.0661360
                  1.1697500              0.2554580
                  0.4793100              0.4454920
                  0.1837040              0.4029670
            D    5   1.00
                  7.5616000             -0.0205840
                  4.7408700              0.0780240
                  1.1697500             -0.3544000
                  0.4793100             -0.5155940
                  0.1837040              0.4207610
            D    1   1.00
                  0.0644090              1.0000000
            D    1   1.00
                  0.0226000              1.0000000
            F    1   1.00
                  0.3735000              1.0000000
            F    1   1.00
                  0.1286000              1.0000000
            ****
            -W     0
            S    7   1.00
                 31.1844000              0.0268990
                 19.5385000             -0.1892380
                 12.2602000              0.4339650
                  4.7203700             -0.8043720
                  1.0095700              0.9015400
                  0.4634560              0.4101950
                  0.1137920              0.0110440
            S    7   1.00
                 31.1844000             -0.0086330
                 19.5385000              0.0609770
                 12.2602000             -0.1418640
                  4.7203700              0.2797320
                  1.0095700             -0.4285050
                  0.4634560             -0.3050150
                  0.1137920              0.6713040
            S    7   1.00
                 31.1844000              0.0314780
                 19.5385000             -0.1676990
                 12.2602000              0.3282920
                  4.7203700             -0.5865250
                  1.0095700              1.4154490
                  0.4634560             -0.6488270
                  0.1137920             -1.6892530
            S    1   1.00
                  0.0416420              1.0000000
            S    1   1.00
                  0.0152000              1.0000000
            P    6   1.00
                  7.7873800              0.1852090
                  5.0493000             -0.5283120
                  3.1860200              0.1871580
                  1.0593700              0.6560130
                  0.4491060              0.4179250
                  0.1276250              0.0409650
            P    6   1.00
                  7.7873800             -0.0535080
                  5.0493000              0.1546790
                  3.1860200             -0.0504270
                  1.0593700             -0.2604500
                  0.4491060             -0.1384050
                  0.1276250              0.5459010
            P    6   1.00
                  7.7873800             -0.0749390
                  5.0493000              0.2120220
                  3.1860200             -0.0424460
                  1.0593700             -0.4793750
                  0.4491060             -0.0766750
                  0.1276250              0.9477960
            P    1   1.00
                  0.0427440              1.0000000
            P    1   1.00
                  0.0143000              1.0000000
            D    5   1.00
                  8.3098300              0.0219490
                  5.2246300             -0.0773760
                  1.2952900              0.2632410
                  0.5397610              0.4595460
                  0.2089270              0.3922120
            D    5   1.00
                  8.3098300             -0.0263810
                  5.2246300              0.0952520
                  1.2952900             -0.3960520
                  0.5397610             -0.5079960
                  0.2089270              0.5236000
            D    1   1.00
                  0.0731130              1.0000000
            D    1   1.00
                  0.0256000              1.0000000
            F    1   1.00
                  0.4769000              1.0000000
            F    1   1.00
                  0.1768000              1.0000000
            ****
            -Re     0
            S    7   1.00
                 33.0133000              0.0221330
                 20.6658000             -0.1618310
                 12.9498000              0.3812300
                  4.7782300             -0.7875220
                  1.0858000              0.8980810
                  0.5000250              0.4224690
                  0.1210690              0.0172060
            S    7   1.00
                 33.0133000             -0.0070680
                 20.6658000              0.0530520
                 12.9498000             -0.1282310
                  4.7782300              0.2853960
                  1.0858000             -0.4487810
                  0.5000250             -0.2976680
                  0.1210690              0.6634730
            S    7   1.00
                 33.0133000              0.0274240
                 20.6658000             -0.1468310
                 12.9498000              0.2908580
                  4.7782300             -0.5801000
                  1.0858000              1.4204980
                  0.5000250             -0.6321790
                  0.1210690             -1.6875030
            S    1   1.00
                  0.0438810              1.0000000
            S    1   1.00
                  0.0159000              1.0000000
            P    6   1.00
                  8.6759800              0.1394900
                  5.6538200             -0.3569770
                  1.4063900              0.4818040
                  0.6920560              0.5117960
                  0.3163520              0.1708180
                  0.1093090              0.0097820
            P    6   1.00
                  8.6759800             -0.0412390
                  5.6538200              0.1083450
                  1.4063900             -0.1688840
                  0.6920560             -0.2386860
                  0.3163520              0.0632430
                  0.1093090              0.6102210
            P    6   1.00
                  8.6759800             -0.0651350
                  5.6538200              0.1725300
                  1.4063900             -0.2649320
                  0.6920560             -0.4743410
                  0.3163520              0.3991830
                  0.1093090              0.8030920
            P    1   1.00
                  0.0385810              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  8.6719700              0.0171910
                  5.4414200             -0.0665390
                  1.3750800              0.2711570
                  0.5838300              0.4487710
                  0.2293620              0.3778590
            D    5   1.00
                  8.6719700             -0.0203340
                  5.4414200              0.0775390
                  1.3750800             -0.3686920
                  0.5838300             -0.4745880
                  0.2293620              0.4599950
            D    1   1.00
                  0.0808850              1.0000000
            D    1   1.00
                  0.0285000              1.0000000
            F    1   1.00
                  0.5533000              1.0000000
            F    1   1.00
                  0.2126000              1.0000000
            ****
            -Os     0
            S    7   1.00
                 34.5933000              0.0194050
                 21.6442000             -0.1468750
                 13.5521000              0.3551890
                  4.8950800             -0.7883690
                  1.1634600              0.9033000
                  0.5380840              0.4302560
                  0.1306730              0.0181640
            S    7   1.00
                 34.5933000             -0.0059240
                 21.6442000              0.0475810
                 13.5521000             -0.1198590
                  4.8950800              0.2905900
                  1.1634600             -0.4633260
                  0.5380840             -0.2910580
                  0.1306730              0.6489970
            S    7   1.00
                 34.5933000              0.0286790
                 21.6442000             -0.1533520
                 13.5521000              0.3066570
                  4.8950800             -0.6590400
                  1.1634600              1.6880660
                  0.5380840             -0.9098660
                  0.1306730             -1.5178370
            S    1   1.00
                  0.0469820              1.0000000
            S    1   1.00
                  0.0169000              1.0000000
            P    6   1.00
                  9.1259400              0.1316100
                  5.8907300             -0.3487910
                  1.4397800              0.5276330
                  0.6929760              0.5000040
                  0.3084380              0.1387070
                  0.1086800              0.0055910
            P    6   1.00
                  9.1259400             -0.0379630
                  5.8907300              0.1036120
                  1.4397800             -0.1857190
                  0.6929760             -0.2213770
                  0.3084380              0.0960590
                  0.1086800              0.6029380
            P    6   1.00
                  9.1259400             -0.0676070
                  5.8907300              0.1858450
                  1.4397800             -0.3480470
                  0.6929760             -0.4511480
                  0.3084380              0.5586130
                  0.1086800              0.7068530
            P    1   1.00
                  0.0381830              1.0000000
            P    1   1.00
                  0.0134000              1.0000000
            D    5   1.00
                  9.3395000              0.0158420
                  5.8557100             -0.0635100
                  1.4647600              0.2828700
                  0.6312200              0.4507810
                  0.2506620              0.3664550
            D    5   1.00
                  9.3395000             -0.0209240
                  5.8557100              0.0807150
                  1.4647600             -0.4242800
                  0.6312200             -0.4620180
                  0.2506620              0.5555660
            D    1   1.00
                  0.0891640              1.0000000
            D    1   1.00
                  0.0317000              1.0000000
            F    1   1.00
                  0.6278000              1.0000000
            F    1   1.00
                  0.2478000              1.0000000
            ****
            -Ir     0
            S    7   1.00
                 36.0577000              0.0172890
                 22.5516000             -0.1359910
                 14.1116000              0.3386690
                  5.0447500             -0.7941690
                  1.2441700              0.9080010
                  0.5769240              0.4378070
                  0.1394660              0.0187690
            S    7   1.00
                 36.0577000             -0.0049480
                 22.5516000              0.0431240
                 14.1116000             -0.1138030
                  5.0447500              0.2953180
                  1.2441700             -0.4732180
                  0.5769240             -0.2840000
                  0.1394660              0.6351880
            S    7   1.00
                 36.0577000              0.0290550
                 22.5516000             -0.1546790
                 14.1116000              0.3116730
                  5.0447500             -0.7039290
                  1.2441700              1.8161160
                  0.5769240             -1.0291110
                  0.1394660             -1.4393180
            S    1   1.00
                  0.0497400              1.0000000
            S    1   1.00
                  0.0177000              1.0000000
            P    6   1.00
                  9.5858000              0.1256510
                  6.1408800             -0.3433060
                  1.4976000              0.5536780
                  0.7141440              0.4910420
                  0.3120660              0.1228370
                  0.1151600              0.0033780
            P    6   1.00
                  9.5858000             -0.0379390
                  6.1408800              0.1069870
                  1.4976000             -0.2083670
                  0.7141440             -0.2217720
                  0.3120660              0.1266520
                  0.1151600              0.6103680
            P    6   1.00
                  9.5858000             -0.0740030
                  6.1408800              0.2101790
                  1.4976000             -0.4612670
                  0.7141440             -0.3768670
                  0.3120660              0.6521120
                  0.1151600              0.6073860
            P    1   1.00
                  0.0412770              1.0000000
            P    1   1.00
                  0.0148000              1.0000000
            D    5   1.00
                  9.9606900              0.0154630
                  6.2430300             -0.0631200
                  1.5631700              0.2923090
                  0.6819400              0.4527480
                  0.2734460              0.3571590
            D    5   1.00
                  9.9606900             -0.0198010
                  6.2430300              0.0777020
                  1.5631700             -0.4252400
                  0.6819400             -0.4331870
                  0.2734460              0.4752470
            D    1   1.00
                  0.0980080              1.0000000
            D    1   1.00
                  0.0351000              1.0000000
            F    1   1.00
                  0.7127000              1.0000000
            F    1   1.00
                  0.2898000              1.0000000
            ****
            -Pt     0
            S    7   1.00
                 37.3750000              0.0156980
                 23.3685000             -0.1285150
                 14.6164000              0.3299960
                  5.2209620             -0.8039770
                  1.3267320              0.9127650
                  0.6163210              0.4444260
                  0.1480680              0.0192250
            S    7   1.00
                 37.3750000             -0.0041400
                 23.3685000              0.0396870
                 14.6164000             -0.1100630
                  5.2209620              0.3003960
                  1.3267320             -0.4809750
                  0.6163210             -0.2769970
                  0.1480680              0.6216130
            S    7   1.00
                 37.3750000              0.0303040
                 23.3685000             -0.1595530
                 14.6164000              0.3222870
                  5.2209620             -0.7469090
                  1.3267320              1.9183060
                  0.6163210             -1.1164460
                  0.1480680             -1.3836520
            S    1   1.00
                  0.0523910              1.0000000
            S    1   1.00
                  0.0185000              1.0000000
            P    6   1.00
                  9.9926800              0.1240460
                  6.3831700             -0.3446320
                  1.5696500              0.5711200
                  0.7427790              0.4873560
                  0.3180200              0.1119590
                  0.1141460              0.0019280
            P    6   1.00
                  9.9926800             -0.0346870
                  6.3831700              0.0999320
                  1.5696500             -0.2018840
                  0.7427790             -0.1984590
                  0.3180200              0.1230340
                  0.1141460              0.5955770
            P    6   1.00
                  9.9926800             -0.0771530
                  6.3831700              0.2234940
                  1.5696500             -0.5228040
                  0.7427790             -0.3298980
                  0.3180200              0.7297730
                  0.1141460              0.5372880
            P    1   1.00
                  0.0398630              1.0000000
            P    1   1.00
                  0.0139000              1.0000000
            D    5   1.00
                 10.4126000              0.0150800
                  6.5226600             -0.0622950
                  1.6643000              0.3006490
                  0.7342080              0.4539610
                  0.2974070              0.3490010
            D    5   1.00
                 10.4126000             -0.0198660
                  6.5226600              0.0796630
                  1.6643000             -0.4687940
                  0.7342080             -0.4051740
                  0.2974070              0.5192890
            D    1   1.00
                  0.1075990              1.0000000
            D    1   1.00
                  0.0389000              1.0000000
            F    1   1.00
                  0.8018000              1.0000000
            F    1   1.00
                  0.3357000              1.0000000
            ****
            -Au     0
            S    8   1.00
                 38.0008000              0.0200090
                 23.9725000             -0.1516790
                 15.2182000              0.3639600
                  5.5399900             -0.8213260
                  1.3855100              0.9366410
                  0.6424610              0.4235270
                  0.1564960              0.0162500
                  0.0549100             -0.0009780
            S    8   1.00
                 38.0008000             -0.0053040
                 23.9725000              0.0463180
                 15.2182000             -0.1199400
                  5.5399900              0.3040620
                  1.3855100             -0.4945010
                  0.6424610             -0.2555160
                  0.1564960              0.6091630
                  0.0549100              0.5977670
            S    8   1.00
                 38.0008000              0.0323400
                 23.9725000             -0.1717620
                 15.2182000              0.3395030
                  5.5399900             -0.7461790
                  1.3855100              1.9174980
                  0.6424610             -1.1299310
                  0.1564960             -1.3662840
                  0.0549100              1.4423910
            S    1   1.00
                  0.0549100              1.0000000
            S    1   1.00
                  0.0193000              1.0000000
            P    7   1.00
                 10.3092000              0.1282170
                  6.6276500             -0.3537900
                  1.6744700              0.5662110
                  0.8011160              0.4931710
                  0.3468790              0.1137750
                  0.1227010              0.0025340
                  0.0424280              0.0006790
            P    7   1.00
                 10.3092000             -0.0358850
                  6.6276500              0.1028900
                  1.6744700             -0.2009880
                  0.8011160             -0.2010450
                  0.3468790              0.1165490
                  0.1227010              0.5949690
                  0.0424280              0.4555200
            P    7   1.00
                 10.3092000             -0.0772420
                  6.6276500              0.2226110
                  1.6744700             -0.4953530
                  0.8011160             -0.3607470
                  0.3468790              0.7100000
                  0.1227010              0.5688390
                  0.0424280              0.0011930
            P    1   1.00
                  0.0424280              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.0027000              0.0164670
                  6.8916600             -0.0680130
                  1.8080800              0.2994920
                  0.8210510              0.4543030
                  0.3441610              0.3442240
                  0.1297430              0.1212560
            D    6   1.00
                 11.0027000             -0.0236280
                  6.8916600              0.0956720
                  1.8080800             -0.5412940
                  0.8210510             -0.3955330
                  0.3441610              0.6191650
                  0.1297430              0.4682760
            D    1   1.00
                  0.1297430              1.0000000
            D    1   1.00
                  0.0489000              1.0000000
            F    1   1.00
                  0.8919000              1.0000000
            F    1   1.00
                  0.3789000              1.0000000
            ****
            -Hg     0
            S    8   1.00
                 41.4804000              0.0100720
                 22.5328000             -0.1147810
                 14.0790000              0.3564080
                  5.7247400             -0.8484430
                  1.4794800              0.9405960
                  0.6882660              0.4353290
                  0.1641810              0.0131780
                  0.0572230             -0.0023140
            S    8   1.00
                 41.4804000              0.0020320
                 22.5328000             -0.0323140
                 14.0790000              0.1153500
                  5.7247400             -0.3177630
                  1.4794800              0.5135230
                  0.6882660              0.2500500
                  0.1641810             -0.6488410
                  0.0572230             -0.5599430
            S    8   1.00
                 41.4804000              0.0218280
                 22.5328000             -0.1555640
                 14.0790000              0.3860250
                  5.7247400             -0.8961040
                  1.4794800              2.3321950
                  0.6882660             -1.5976600
                  0.1641810             -1.0536460
                  0.0572230              1.2895360
            S    1   1.00
                  0.0572230              1.0000000
            S    1   1.00
                  0.0199000              1.0000000
            P    7   1.00
                 10.5805000              0.1286920
                  6.8053900             -0.3608420
                  1.7901600              0.5641170
                  0.8622610              0.5002740
                  0.3752770              0.1137850
                  0.1284210              0.0029390
                  0.0434470              0.0004880
            P    7   1.00
                 10.5805000             -0.0344430
                  6.8053900              0.1009290
                  1.7901600             -0.1924390
                  0.8622610             -0.1960690
                  0.3752770              0.1042040
                  0.1284210              0.5873870
                  0.0434470              0.4727830
            P    7   1.00
                 10.5805000              0.0714680
                  6.8053900             -0.2108590
                  1.7901600              0.4452040
                  0.8622610              0.3916080
                  0.3752770             -0.6670830
                  0.1284210             -0.6195740
                  0.0434470             -0.0009090
            P    1   1.00
                  0.0434470              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.5841000              0.0167290
                  7.2487900             -0.0695580
                  1.9366200              0.3034370
                  0.8987480              0.4548780
                  0.3869310              0.3368080
                  0.1504660              0.1130160
            D    6   1.00
                 11.5841000             -0.0249840
                  7.2487900              0.1041030
                  1.9366200             -0.6169860
                  0.8987480             -0.3538260
                  0.3869310              0.6872800
                  0.1504660              0.3930900
            D    1   1.00
                  0.1504660              1.0000000
            D    1   1.00
                  0.0585000              1.0000000
            F    1   1.00
                  0.9974000              1.0000000
            F    1   1.00
                  0.4377000              1.0000000
            ****
            -Tl     0
            S    8   1.00
                 36.1096000              0.0229790
                 22.5732000             -0.1728970
                 14.1144000              0.4807030
                  6.1597600             -0.9532140
                  1.5706900              0.9608670
                  0.7459610              0.4319720
                  0.1958840              0.0131990
                  0.0710030             -0.0021060
            S    8   1.00
                 36.1096000              0.0059010
                 22.5732000             -0.0544410
                 14.1144000              0.1709120
                  6.1597600             -0.3868060
                  1.5706900              0.5717530
                  0.7459610              0.2895580
                  0.1958840             -0.7163850
                  0.0710030             -0.5289600
            S    1   1.00
                  0.1958840              1.0000000
            S    1   1.00
                  0.0710030              1.0000000
            S    1   1.00
                  0.0206000              1.0000000
            P    6   1.00
                 10.3856000              0.1621170
                  7.0093900             -0.4046950
                  1.7768800              0.6949780
                  0.7479420              0.4664960
                  0.1768080              0.0280130
                  0.0515320             -0.0041730
            P    6   1.00
                 10.3856000             -0.0391990
                  7.0093900              0.1017260
                  1.7768800             -0.2199420
                  0.7479420             -0.1194500
                  0.1768080              0.4597680
                  0.0515320              0.6763890
            P    1   1.00
                  0.0515320              1.0000000
            P    1   1.00
                  0.0130000              1.0000000
            D    6   1.00
                 10.9087000              0.0217120
                  6.8364900             -0.0832690
                  1.9974900              0.3418070
                  0.9144720              0.4833160
                  0.3895180              0.3047550
                  0.1501000              0.0649830
            D    1   1.00
                  0.1501000              1.0000000
            D    1   1.00
                  0.0437000              1.0000000
            ****
            -Pb     0
            S    8   1.00
                 37.4583000              0.0248240
                 23.3170000             -0.1810620
                 14.5759000              0.5007060
                  6.4337600             -0.9797370
                  1.6671900              0.9666300
                  0.8077320              0.4364870
                  0.2270840              0.0136860
                  0.0842520             -0.0020210
            S    8   1.00
                 37.4583000              0.0067850
                 23.3170000             -0.0601870
                 14.5759000              0.1889710
                  6.4337600             -0.4248380
                  1.6671900              0.6220350
                  0.8077320              0.3160880
                  0.2270840             -0.7594740
                  0.0842520             -0.5151310
            S    1   1.00
                  0.2270840              1.0000000
            S    1   1.00
                  0.0842520              1.0000000
            S    1   1.00
                  0.0278000              1.0000000
            P    6   1.00
                 10.6186000              0.1701740
                  7.1878100             -0.4241790
                  1.8943900              0.6934430
                  0.8167090              0.4737730
                  0.2036880              0.0290470
                  0.0649730             -0.0043860
            P    6   1.00
                 10.6186000             -0.0479540
                  7.1878100              0.1245560
                  1.8943900             -0.2597760
                  0.8167090             -0.1414800
                  0.2036880              0.5317690
                  0.0649730              0.6087590
            P    1   1.00
                  0.0649730              1.0000000
            P    1   1.00
                  0.0197000              1.0000000
            D    6   1.00
                 13.7266000              0.0107870
                  6.9898300             -0.0666500
                  2.1735200              0.3342590
                  1.0281200              0.4826840
                  0.4558570              0.3004140
                  0.1822000              0.0632580
            D    1   1.00
                  0.1822000              1.0000000
            D    1   1.00
                  0.0609000              1.0000000
            ****
            -Bi     0
            S    8   1.00
                211.8210000              0.0010880
                 21.3262000             -0.1058620
                 13.3654000              0.5308080
                  6.9461000             -1.0502650
                  1.7122900              0.9958560
                  0.8391070              0.3989520
                  0.2553640              0.0117780
                  0.0967000             -0.0014700
            S    8   1.00
                211.8210000              0.0004220
                 21.3262000             -0.0385370
                 13.3654000              0.2172380
                  6.9461000             -0.4810970
                  1.7122900              0.7015950
                  0.8391070              0.2905200
                  0.2553640             -0.7997780
                  0.0967000             -0.4961310
            S    1   1.00
                  0.2553640              1.0000000
            S    1   1.00
                  0.0967000              1.0000000
            S    1   1.00
                  0.0317000              1.0000000
            P    6   1.00
                 11.0644000              0.1672490
                  7.4500000             -0.4252620
                  2.0106900              0.6925250
                  0.8883210              0.4753740
                  0.2363690              0.0298590
                  0.0792900             -0.0044930
            P    6   1.00
                 11.0644000             -0.0522010
                  7.4500000              0.1390830
                  2.0106900             -0.2935560
                  0.8883210             -0.1585740
                  0.2363690              0.5743620
                  0.0792900              0.5726780
            P    1   1.00
                  0.0792900              1.0000000
            P    1   1.00
                  0.0254000              1.0000000
            D    6   1.00
                 16.2461000              0.0078080
                  6.9836300             -0.0668310
                  2.3747600              0.3241400
                  1.1537200              0.4858310
                  0.5259740              0.3010560
                  0.2151000              0.0631960
            D    1   1.00
                  0.2151000              1.0000000
            D    1   1.00
                  0.0745000              1.0000000
            ****
            -Po     0
            S    8   1.00
                295.3900000              0.0013830
                 21.2683000             -0.1050610
                 13.3379000              0.5914250
                  7.3652100             -1.1156970
                  1.7892000              1.0191620
                  0.8849940              0.3798790
                  0.2857870              0.0107810
                  0.1093240             -0.0011440
            S    8   1.00
                295.3900000              0.0006830
                 21.2683000             -0.0385730
                 13.3379000              0.2519580
                  7.3652100             -0.5330160
                  1.7892000              0.7669010
                  0.8849940              0.2818780
                  0.2857870             -0.8394770
                  0.1093240             -0.4792720
            S    1   1.00
                  0.2857870              1.0000000
            S    1   1.00
                  0.1093240              1.0000000
            S    1   1.00
                  0.0359000              1.0000000
            P    6   1.00
                 11.5069000              0.1663640
                  7.7299100             -0.4272350
                  2.1189400              0.6969640
                  0.9553230              0.4713590
                  0.2683520              0.0299870
                  0.0884940             -0.0034870
            P    6   1.00
                 11.5069000             -0.0559100
                  7.7299100              0.1511230
                  2.1189400             -0.3261600
                  0.9553230             -0.1614090
                  0.2683520              0.6016150
                  0.0884940              0.5559720
            P    1   1.00
                  0.0884940              1.0000000
            P    1   1.00
                  0.0278000              1.0000000
            D    6   1.00
                 18.7130000              0.0066940
                  7.0570800             -0.0671040
                  2.5506200              0.3257980
                  1.2506900              0.4957630
                  0.5742560              0.2931060
                  0.2330000              0.0541620
            D    1   1.00
                  0.2330000              1.0000000
            D    1   1.00
                  0.0895000              1.0000000
            ****
            -At     0
            S    8   1.00
                304.0310000              0.0010310
                 22.4085000             -0.1018690
                 14.0490000              0.5632730
                  7.5895000             -1.1045120
                  1.8949400              1.0263640
                  0.9523580              0.3833240
                  0.3170410              0.0113590
                  0.1224900             -0.0011400
            S    8   1.00
                304.0310000              0.0004960
                 22.4085000             -0.0387430
                 14.0490000              0.2490070
                  7.5895000             -0.5516910
                  1.8949400              0.8155580
                  0.9523580              0.2868020
                  0.3170410             -0.8682780
                  0.1224900             -0.4694960
            S    1   1.00
                  0.3170410              1.0000000
            S    1   1.00
                  0.1224900              1.0000000
            S    1   1.00
                  0.0404000              1.0000000
            P    6   1.00
                 12.0093000              0.1631810
                  8.0330000             -0.4244130
                  2.2239300              0.7031340
                  1.0213300              0.4641680
                  0.3012660              0.0302600
                  0.0999030             -0.0026180
            P    6   1.00
                 12.0093000             -0.0583630
                  8.0330000              0.1606310
                  2.2239300             -0.3589420
                  1.0213300             -0.1621230
                  0.3012660              0.6248880
                  0.0999030              0.5397840
            P    1   1.00
                  0.0999030              1.0000000
            P    1   1.00
                  0.0313000              1.0000000
            D    6   1.00
                 21.3084000              0.0061410
                  7.0207600             -0.0706690
                  2.7689800              0.3190200
                  1.3731400              0.5044700
                  0.6368040              0.2924810
                  0.2593000              0.0514950
            D    1   1.00
                  0.2593000              1.0000000
            D    1   1.00
                  0.1073000              1.0000000
            ****
            -Rn     0
            S    8   1.00
                383.5850000              0.0015720
                 23.2936000             -0.0761810
                 14.6096000              0.4785080
                  7.7319900             -1.0439020
                  1.9942400              1.0190710
                  1.0240700              0.3914520
                  0.3454220              0.0127820
                  0.1350810             -0.0012970
            S    8   1.00
                383.5850000              0.0009020
                 23.2936000             -0.0265350
                 14.6096000              0.2148510
                  7.7319900             -0.5453780
                  1.9942400              0.8694020
                  1.0240700              0.2728620
                  0.3454220             -0.8929670
                  0.1350810             -0.4539150
            S    1   1.00
                  0.3454220              1.0000000
            S    1   1.00
                  0.1350810              1.0000000
            S    1   1.00
                  0.0449000              1.0000000
            P    6   1.00
                 12.4992000              0.1629940
                  8.3397600             -0.4262290
                  2.3359100              0.7107760
                  1.0901900              0.4580860
                  0.3348980              0.0292130
                  0.1125460             -0.0031070
            P    6   1.00
                 12.4992000             -0.0609340
                  8.3397600              0.1694830
                  2.3359100             -0.3880550
                  1.0901900             -0.1612760
                  0.3348980              0.6446740
                  0.1125460              0.5255260
            P    1   1.00
                  0.1125460              1.0000000
            P    1   1.00
                  0.0348000              1.0000000
            D    6   1.00
                 24.1705000              0.0058780
                  6.9459900             -0.0765200
                  3.0380900              0.3071660
                  1.5168400              0.5141680
                  0.7091570              0.2972850
                  0.2888000              0.0512000
            D    1   1.00
                  0.2888000              1.0000000
            D    1   1.00
                  0.1251000              1.0000000
            ****
            
            -Y     0
            Y-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      7.85827500           135.13497400
            2      3.38212800            15.41163200
            p-g potential
              4
            2      6.84979100            29.25143700
            2      6.71009200            58.50836300
            2      3.04215900             3.78024300
            2      2.93733000             7.67654700
            d-g potential
              4
            2      5.41631500            11.84991100
            2      5.33341600            17.77810300
            2      1.97621200             2.06238300
            2      1.96111100             3.07565000
            f-g potential
              2
            2      5.02859000            -6.92807800
            2      5.00558200            -9.15509900
            -ZR     0
            ZR-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      8.63652800           150.24299400
            2      3.71763900            18.78003600
            p-g potential
              4
            2      7.62672800            33.19279100
            2      7.45320700            66.38903900
            2      3.35838900             4.62072600
            2      3.22973800             9.26027000
            d-g potential
              4
            2      5.93808600            13.99338300
            2      5.82554400            20.99588200
            2      2.20501900             2.28516600
            2      2.20629200             3.44126000
            f-g potential
              2
            2      4.80021500            -5.23932000
            2      4.79899200            -6.98742400
            -NB     0
            NB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      9.37657800           165.15673600
            2      4.04357200            21.82395100
            p-g potential
              4
            2      8.36360900            37.24928400
            2      8.16689800            74.50738900
            2      3.69307500             5.43948600
            2      3.55104700            10.91325200
            d-g potential
              4
            2      6.68910800            15.21454900
            2      6.53719300            22.83350800
            2      2.55111800             3.00005200
            2      2.56789600             4.55373400
            f-g potential
              2
            2      5.56828500            -6.28135400
            2      5.67137200            -8.75564400
            -MO     0
            MO-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.09700000           180.07685300
            2      4.37567000            24.71592000
            p-g potential
              4
            2      9.12656400            41.22767800
            2      8.86322300            82.45267000
            2      4.04494800             6.34509200
            2      3.86665700            12.45842300
            d-g potential
              4
            2      7.53575400            19.30874400
            2      7.27897600            28.97767400
            2      2.76320500             3.18951600
            2      2.77208500             4.70016900
            f-g potential
              2
            2      6.30663300            -7.17888800
            2      6.35644800            -9.74597800
            -TC     0
            TC-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.79936900           195.09130300
            2      4.70725700            27.34041300
            p-g potential
              4
            2      9.82669900            45.06081200
            2      9.56111500            90.11729500
            2      4.37857800             7.07051700
            2      4.19090700            14.04801900
            d-g potential
              4
            2      8.33604500            21.65775500
            2      8.24453300            32.47195900
            2      3.09370700             3.78952500
            2      3.16872200             6.05343000
            f-g potential
              2
            2      7.04094000            -7.99562300
            2      7.06947300           -10.74569600
            -RU     0
            RU-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     11.50059000           209.78649300
            2      5.06857500            30.21430700
            p-g potential
              4
            2     10.53263400            48.75124400
            2     10.19201000            97.49652900
            2      4.73489200             7.86018800
            2      4.50906500            15.32975100
            d-g potential
              4
            2      8.87797700            26.96750600
            2      8.76612200            40.43230300
            2      3.17019600             3.34075800
            2      3.22885100             5.25635200
            f-g potential
              2
            2      7.82024900            -8.84752500
            2      7.83964700           -11.83551800
            -RH     0
            RH-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.19481600           225.31205400
            2      5.40513700            32.44158200
            p-g potential
              4
            2     11.28075500            52.87282600
            2     10.92724800           105.74552600
            2      5.09011700             8.61934400
            2      4.85183200            16.97345900
            d-g potential
              4
            2      9.13633700            25.10850100
            2      8.96480800            37.69573100
            2      3.64361200             4.20258400
            2      3.63600700             6.29279000
            f-g potential
              2
            2      8.61622800            -9.67356800
            2      8.62943500           -12.89984700
            -PD     0
            PD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.79882500           240.26278900
            2      5.80052800            34.72996100
            p-g potential
              4
            2     11.87469700            56.74692900
            2     11.47433500           113.44441700
            2      5.51599900             9.34563900
            2      5.24804300            18.34544700
            d-g potential
              4
            2      8.50221200            28.59555400
            2      7.98332400            43.45392100
            2      3.10762800             1.85228600
            2      2.47673400             1.40676500
            f-g potential
              2
            2      9.67957100           -10.98725500
            2      9.69134900           -14.62619000
            -AG     0
            AG-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.5677140            255.0547710
            2      6.9976620             36.9833930
            p-g potential
              4
            2     11.3164960             60.7157050
            2     10.9580630            121.4438890
            2      7.1114000             10.1718660
            2      6.7733190             20.4865640
            d-g potential
              4
            2      8.9284370             29.5049380
            2     11.1025670             44.0187360
            2      5.5432120              5.3683330
            2      3.9288350              7.4083750
            f-g potential
              2
            2     11.0129130            -12.6234030
            2     11.0198980            -16.7643270
            -CD     0
            CD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     13.3551760            270.0394480
            2      7.3083780             38.8777660
            p-g potential
              4
            2     12.6597280             64.6074700
            2     12.2896390            129.2194450
            2      6.7861760             10.6225580
            2      6.4007430             21.2650460
            d-g potential
              4
            2     11.1617220             31.6639650
            2     11.2196150             47.4892160
            2      4.5377330              5.1862000
            2      4.3357270              7.5660630
            f-g potential
              2
            2     11.4789860            -12.6327850
            2     11.4870270            -16.7601710
            -IN     0
            IN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     15.3928220            281.1223500
            2      8.0558640             61.9014700
            p-g potential
              4
            2     13.9286720             67.4621540
            2     13.3472340            134.9492500
            2      7.6141320             14.7461400
            2      7.3183650             29.6392620
            d-g potential
              4
            2     14.0347150             35.4932540
            2     14.5116160             53.1787730
            2      5.5505500              9.1772810
            2      5.0594150             12.3924100
            f-g potential
              2
            2     12.5390560            -13.7280780
            2     12.5525610            -18.2068660
            -SN     0
            SN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     17.4204140            279.9886820
            2      7.6311550             62.3778100
            p-g potential
              4
            2     16.1310240             66.1625230
            2     15.6280770            132.1743960
            2      7.3256080             16.3394170
            2      6.9425190             32.4889590
            d-g potential
              4
            2     15.5149760             36.3874410
            2     15.1881600             54.5078410
            2      5.4560240              8.6968230
            2      5.3631050             12.8402080
            f-g potential
              2
            2     12.2823480            -12.5763330
            2     12.2721500            -16.5959440
            -SB     0
            SB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.3308650            281.0715810
            2      8.5565420             61.7166040
            p-g potential
              4
            2     14.4703370             67.4573800
            2     13.8161940            134.9335030
            2      8.4249240             14.7163440
            2      8.0927280             29.5185120
            d-g potential
              4
            2     14.8863310             35.4478150
            2     15.1463190             53.1434660
            2      5.9082670              9.1792230
            2      5.5943220             13.2402530
            f-g potential
              2
            2     14.4449780            -15.3668010
            2     14.4492950            -20.2961380
            -TE     0
            TE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.8144730            281.0458430
            2      8.7935260             61.6206560
            p-g potential
              4
            2     14.8778010             67.4494640
            2     14.2697310            134.9043040
            2      8.7244350             14.6895470
            2      8.2915150             29.4150630
            d-g potential
              4
            2     15.2050080             35.4320570
            2     15.2258480             53.1356870
            2      6.0717690              9.0698020
            2      5.8047600             13.1223040
            f-g potential
              2
            2     15.2061680            -15.7454500
            2     15.2017020            -20.7424480
            -I     0
            I-ECP     4     28
            g potential
              1
            2      1.00000000             0.00000000
            s-g potential
              3
            2     40.03337600            49.98964900
            2     17.30057600           281.00655600
            2      8.85172000            61.41673900
            p-g potential
              4
            2     15.72014100            67.41623900
            2     15.20822200           134.80769600
            2      8.29418600            14.56654800
            2      7.75394900            28.96842200
            d-g potential
              4
            2     13.81775100            35.53875600
            2     13.58780500            53.33975900
            2      6.94763000             9.71646600
            2      6.96009900            14.97750000
            f-g potential
              4
            2     18.52295000           -20.17661800
            2     18.25103500           -26.08807700
            2      7.55790100            -0.22043400
            2      7.59740400            -0.22164600
            -XE     0
            XE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              3
            2     40.0051840             49.9979620
            2     17.8122140            281.0133030
            2      9.3041500             61.5382550
            p-g potential
              4
            2     15.7017720             67.4391420
            2     15.2586080            134.8747110
            2      9.2921840             14.6633000
            2      8.5590030             29.3547300
            d-g potential
              6
            2     15.1856000             35.4369080
            2     14.2845000             53.1957720
            2      7.1218890              9.0462320
            2      6.9919630             13.2236810
            2      0.6239460              0.0848530
            2      0.6472840              0.0441550
            f-g potential
              4
            2     20.8815570            -23.0892950
            2     20.7834430            -30.0744750
            2      5.2533890             -0.2882270
            2      5.3611880             -0.3869240
            -HF     0
            HF-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.24885600           478.23740400
            4     10.72912700             0.38802400
            2      1.96485600            -1.07123200
            p-h potential
              6
            2      8.68346200           101.04681800
            2      7.91692000           212.19776100
            4      9.37924300             0.13264600
            4      8.24420900             0.45310800
            2      1.59668600            -0.40791400
            2      1.71028100            -0.56181700
            d-h potential
              6
            2      5.18955700            43.11546700
            2      5.25322900            65.93473200
            4      5.93787100             0.02591200
            4      5.71290600             0.03374100
            2      1.01485600            -0.28057900
            2      0.47371200            -0.08484900
            f-h potential
              2
            2      1.91260800             4.81180100
            2      1.88074000             6.41857400
            g-h potential
              2
            2      2.72418000            -4.63658500
            2      2.70895300            -5.76728800
            -TA     0
            TA-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.31806900           454.60064900
            4     10.54026700             2.83797500
            2      2.57472600            -0.81473600
            p-h potential
              6
            2      8.74334200            96.91078300
            2      7.91622300           195.85043200
            4      9.27573600             4.81252400
            4      8.10167500             6.33851200
            2      2.07712700            -0.45917300
            2      2.75037200            -0.64458600
            d-h potential
              6
            2      5.44731400            45.96997600
            2      5.21254500            69.63897200
            4      5.88435800             0.80293300
            4      5.64957900             0.42959500
            2      1.38818000            -0.30722700
            2      1.29439800            -0.46156000
            f-h potential
              2
            2      2.16127500             5.75777300
            2      2.12593900             7.67816700
            g-h potential
              2
            2      3.14592000            -5.68406600
            2      3.12794200            -7.06231300
            -W     0
            W-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     11.06379500           419.22759900
            2      8.21764100            41.19130700
            p-h potential
              6
            2      9.33818800           107.34811000
            2      8.43044800           214.69956800
            4      9.49002000             0.02544200
            4      9.48994700             0.05189500
            2      1.88299700            -0.11718400
            2      1.90697200             0.29668900
            d-h potential
              6
            2      6.20543300            58.88127900
            2      6.12215700            98.68355600
            4      6.27455600             0.01953700
            4      6.22637500             0.02195600
            2      1.96387500            -0.08857700
            2      1.88828700            -0.20972600
            f-h potential
              2
            2      2.30795300             6.23247200
            2      2.27060900             8.31134500
            g-h potential
              2
            2      3.58349100            -6.80294400
            2      3.56251500            -8.44323200
            -RE     0
            RE-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     12.16381400           421.97030000
            2      7.10759500            50.13443900
            p-h potential
              4
            2      9.68459700            88.48191000
            2      9.47621400           176.78722000
            2      7.66806600            10.43433800
            2      5.05515600            20.45874300
            d-h potential
              4
            2      6.50988800            43.16243100
            2      6.09121600            64.76775900
            2      4.16400600             5.34030100
            2      4.40737900             8.24333200
            f-h potential
              2
            2      2.56265800             7.24454300
            2      2.52154900             9.65926600
            g-h potential
              2
            2      4.03459900            -7.97494000
            2      4.00962800            -9.88273600
            -OS     0
            OS-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.00200100           424.39037600
            2      6.96276300            57.12250300
            p-h potential
              4
            2     10.49894100            88.27900300
            2      9.99252300           176.48606400
            2      6.58824800            11.71501200
            2      5.03716700            22.91500600
            d-h potential
              4
            2      7.08344100            44.77770800
            2      6.72117900            67.15364800
            2      3.79462600             5.55038700
            2      3.74812500             8.22010400
            f-h potential
              2
            2      2.82627600             8.32833200
            2      2.78119800            11.10310200
            g-h potential
              2
            2      4.49698100            -9.18134300
            2      4.46773800           -11.36160400
            -IR     0
            IR-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.83147400           426.95814900
            2      7.04791400            65.33881300
            p-h potential
              4
            2     11.10643300            88.07544200
            2     10.45655200           176.12477000
            2      6.37961400            12.68226000
            2      5.06472600            24.63594900
            d-h potential
              4
            2      7.54875400            46.43325800
            2      7.26530800            69.63807400
            2      3.80096900             6.15024800
            2      3.71828000             9.46356000
            f-h potential
              2
            2      3.09870600             9.48361000
            2      3.04946100            12.64274200
            g-h potential
              2
            2      4.96979000           -10.41069700
            2      4.93561400           -12.86319600
            -PT     0
            PT-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     14.60450000           429.64608700
            2      7.21828700            73.15688400
            p-h potential
              4
            2     11.57716200            88.02291700
            2     10.88384300           175.99819600
            2      6.42440300            13.68227400
            2      5.22419800            27.41465100
            d-h potential
              4
            2      7.69961000            43.55785200
            2      7.55080800            65.36910800
            2      3.96116400             7.01859600
            2      3.87277700            11.39173300
            f-h potential
              2
            2      3.37986900            10.71022000
            2      3.32625500            14.27812500
            g-h potential
              2
            2      5.45202000           -11.65174900
            2      5.41258500           -14.37552500
            -AU     0
            AU-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.5232180            426.6418670
            2      6.2643840             36.8006680
            p-h potential
              4
            2     11.4138670             87.0020910
            2     10.3292150            174.0043700
            2      5.7074240              8.8706100
            2      4.8281650             17.9024380
            d-h potential
              4
            2      7.4309630             49.8836550
            2      8.3219900             74.6845490
            2      4.6096420              6.4862270
            2      3.5115070              9.5468210
            f-h potential
              2
            2      3.0846390              8.7916400
            2      3.0247430             11.6584560
            g-h potential
              2
            2      3.9784420             -5.2343370
            2      4.0114910             -6.7381420
            -HG     0
            HG-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.4130710            275.7747970
            2      6.8979130             49.2678980
            p-h potential
              4
            2     11.3103200             80.5069840
            2     10.2107730            161.0348240
            2      5.9398040              9.0834160
            2      5.0197550             18.3677730
            d-h potential
              4
            2      8.4078950             51.1372560
            2      8.2140860             76.7074590
            2      4.0126120              6.5618210
            2      3.7953980              9.8180700
            f-h potential
              2
            2      3.2731060              9.4290010
            2      3.2083210             12.4948560
            g-h potential
              2
            2      4.4852960             -6.3384140
            2      4.5132000             -8.0998630
            -TL     0
            TL-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.1678050            281.2846630
            2      8.2949090             62.4342510
            p-h potential
              4
            2      7.1514920              4.6334080
            2      5.1728650              9.3417560
            2      9.8910720             72.2992530
            2      9.0033910            144.5580370
            d-h potential
              4
            2      7.1302180             35.9430390
            2      6.9269060             53.9095930
            2      5.4175700             10.3819390
            2      5.1386810             15.5838220
            f-h potential
              4
            2      5.6263990             15.8254880
            2      5.5489520             21.1040210
            2      2.8749460              2.9151270
            2      2.8214510              3.8969030
            g-h potential
              4
            2      6.6790570             -7.4945340
            2      6.7068350             -9.5405750
            2      7.2092840             -7.7979920
            2      7.0709640             -9.2595240
            -PB     0
            PB-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.2963030            281.2854990
            2      8.6326340             62.5202170
            p-h potential
              4
            2     10.2417900             72.2768970
            2      8.9241760            144.5910830
            2      6.5813420              4.7586930
            2      6.2554030              9.9406210
            d-h potential
              4
            2      7.7543360             35.8485070
            2      7.7202810             53.7243420
            2      4.9702640             10.1152560
            2      4.5637890             14.8337310
            f-h potential
              2
            2      3.8875120             12.2098920
            2      3.8119630             16.1902910
            g-h potential
              2
            2      5.6915770             -9.0966650
            2      5.7155670            -11.5319960
            -BI     0
            BI-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.0430900            283.2642270
            2      8.2216820             62.4719590
            p-h potential
              4
            2     10.4677770             72.0014990
            2      9.1189010            144.0022770
            2      6.7547910              5.0079450
            2      6.2525920              9.9915500
            d-h potential
              4
            2      8.0814740             36.3962590
            2      7.8905950             54.5976640
            2      4.9555560              9.9842940
            2      4.7045590             14.9814850
            f-h potential
              2
            2      4.2145460             13.7133830
            2      4.1334000             18.1943080
            g-h potential
              2
            2      6.2057090            -10.2474430
            2      6.2277820            -12.9557100
            -PO     0
            PO-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.2772270            283.2447060
            2      8.3995180             62.3964610
            p-h potential
              4
            2     10.6656820             71.9917160
            2      9.2837530            143.9718710
            2      6.8727490              4.9496150
            2      6.3261500              9.7404990
            d-h potential
              4
            2      8.2148660             36.3783830
            2      8.0086960             54.5627150
            2      5.0552270              9.8894990
            2      4.7825530             14.6938770
            f-h potential
              4
            2      5.0132700             17.4282950
            2      4.9846400             23.3803530
            2      1.3267600              0.1633920
            2      1.5287580              0.3245660
            g-h potential
              2
            2      6.7715260            -11.5632940
            2      6.7779250            -14.5097880
            -AT     0
            AT-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.2008320             49.9571580
            2     13.6123060            283.2103710
            2      8.5293400             62.2810520
            p-h potential
              4
            2     10.8540650             71.9823710
            2      9.4682290            143.9035320
            2      7.0311140              4.8717590
            2      6.1438580              8.9830590
            d-h potential
              4
            2      8.3135150             36.3632370
            2      7.9989650             54.5489700
            2      5.1799660              9.7762850
            2      4.9422260             14.2647550
            f-h potential
              4
            2      5.8121630             19.8701980
            2      5.7537150             26.4164520
            2      2.5134720              0.9949700
            2      2.5362610              1.4907010
            g-h potential
              4
            2      9.8957780            -22.2232030
            2      9.7373340            -26.7154760
            2      3.0133310             -0.3730440
            2      3.0977630             -0.4859460
            -RN     0
            RN-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.1512420             49.9655510
            2     14.5212410            283.0700000
            2      8.0520380             62.0028700
            p-h potential
              4
            2     11.0099420             71.9691190
            2      9.6176250            143.8605590
            2      7.3360080              4.7147610
            2      6.4062530              9.0130650
            d-h potential
              4
            2      8.3692200             36.3683650
            2      8.1169750             54.5517610
            2      5.3536560              9.6344870
            2      5.0972120             14.3879020
            f-h potential
              4
            2      6.3485710             21.7972900
            2      6.2959490             28.9468050
            2      2.8821180              1.4473650
            2      2.9080480              2.1779640
            g-h potential
              4
            2     11.0152050            -25.2280950
            2     10.9098530            -30.5661210
            2      3.4827610             -0.5748000
            2      3.6004180             -0.7795380
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/Tuned_LCPBE/05_alphapinene_STD/Gau-7770.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/Tuned_LCPBE/05_alphapinene_STD/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=      7773.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                16-Jul-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=42GB
 %chk=05_alphapinene_STD_LCPBE_augccpVDZ
 ----------------------------------------------------------------------
 #P SP LC-PBEPBE/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120,Tigh
 t) Polar=ROA Guess=Read Geom=Check CPHF=RdFreq IOp(1/33=1,3/107=025600
 0000,3/108=0256000000,3/119=1000000000,3/120=1000000000,3/130=-1,3/131
 =-1)
 ----------------------------------------------------------------------
 1/29=2,33=1,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=1001009,75=-5,107=256000000,108=256000000,116=-2,119=1000000000,120=1000000000,130=-1,131=-1/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,32=2,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Fri Jul 16 19:14:02 2021, MaxMem=  5637144576 cpu:               1.3 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 ONIOM results not found on unit 2.
 -----------------
 ROA calculations.
 -----------------
 TstMul:  ICh=     0
 TstMul:  Mul=     1
 TstMul:  ICh=     0
 TstMul:  Mul=     1
 Structure from the checkpoint file:  "05_alphapinene_STD_LCPBE_augccpVDZ.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                 1.503651000000      0.908216000000      0.507488000000
  C                                                 0.290384000000      1.804712000000      0.536372000000
  C                                                 1.436486000000     -0.280373000000     -0.092333000000
  C                                                 2.556356000000     -1.268228000000     -0.145852000000
  C                                                 0.123938000000     -0.632595000000     -0.761632000000
  C                                                -1.078310000000     -0.328744000000      0.207184000000
  C                                                -0.867453000000      1.159910000000     -0.235542000000
  C                                                -0.320490000000      0.612788000000     -1.578519000000
  H                                                 2.411320000000      1.240625000000      0.999510000000
  H                                                 0.526867000000      2.781351000000      0.099045000000
  H                                                -0.005727000000      2.005386000000      1.572636000000
  H                                                 3.449206000000     -0.892879000000      0.355226000000
  H                                                 2.817419000000     -1.510836000000     -1.180937000000
  H                                                 2.264835000000     -2.210108000000      0.330473000000
  H                                                 0.146974000000     -1.606808000000     -1.251700000000
  C                                                -0.951378000000     -0.684230000000      1.680802000000
  C                                                -2.395364000000     -0.902700000000     -0.314912000000
  H                                                -1.749053000000      1.803451000000     -0.256178000000
  H                                                -1.103985000000      0.399461000000     -2.300386000000
  H                                                 0.473946000000      1.180887000000     -2.060869000000
  H                                                -0.016390000000     -0.343402000000      2.118644000000
  H                                                -1.008073000000     -1.767780000000      1.815303000000
  H                                                -1.775477000000     -0.242117000000      2.247181000000
  H                                                -2.569985000000     -0.690863000000     -1.368440000000
  H                                                -3.236117000000     -0.490937000000      0.249338000000
  H                                                -2.412689000000     -1.987970000000     -0.187175000000
 Recover connectivity data from disk.
 After GenITR:
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1 -1 -1
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1 -1 -1
 NAtoms=     26 NQM=       26 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          12          12          12          12           1           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000   1.0078250   1.0078250
 NucSpn=           0           0           0           0           0           0           0           0           1           1
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   1.0000000   1.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=           1           1           1           1           1          12          12           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250  12.0000000  12.0000000   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           1           0           0           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   3.6000000   3.6000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   6.0000000   6.0000000   1.0000000   1.0000000   1.0000000

  Atom        21          22          23          24          25          26
 IAtWgt=           1           1           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 No MM parameters found.
 Using perturbation frequencies:    0.093368
 Leave Link  101 at Fri Jul 16 19:14:03 2021, MaxMem=  5637144576 cpu:               1.1 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        1.503651    0.908216    0.507488
      2          6           0        0.290384    1.804712    0.536372
      3          6           0        1.436486   -0.280373   -0.092333
      4          6           0        2.556356   -1.268228   -0.145852
      5          6           0        0.123938   -0.632595   -0.761632
      6          6           0       -1.078310   -0.328744    0.207184
      7          6           0       -0.867453    1.159910   -0.235542
      8          6           0       -0.320490    0.612788   -1.578519
      9          1           0        2.411320    1.240625    0.999510
     10          1           0        0.526867    2.781351    0.099045
     11          1           0       -0.005727    2.005386    1.572636
     12          1           0        3.449206   -0.892879    0.355226
     13          1           0        2.817419   -1.510836   -1.180937
     14          1           0        2.264835   -2.210108    0.330473
     15          1           0        0.146974   -1.606808   -1.251700
     16          6           0       -0.951378   -0.684230    1.680802
     17          6           0       -2.395364   -0.902700   -0.314912
     18          1           0       -1.749053    1.803451   -0.256178
     19          1           0       -1.103985    0.399461   -2.300386
     20          1           0        0.473946    1.180887   -2.060869
     21          1           0       -0.016390   -0.343402    2.118644
     22          1           0       -1.008073   -1.767780    1.815303
     23          1           0       -1.775477   -0.242117    2.247181
     24          1           0       -2.569985   -0.690863   -1.368440
     25          1           0       -3.236117   -0.490937    0.249338
     26          1           0       -2.412689   -1.987970   -0.187175
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.508826   0.000000
     3  C    1.333057   2.460975   0.000000
     4  C    2.504386   3.878533   1.494266   0.000000
     5  C    2.426597   2.766403   1.514861   2.588411   0.000000
     6  C    2.878676   2.556036   2.533032   3.770684   1.573636
     7  C    2.497514   1.533691   2.720856   4.198377   2.114876
     8  C    2.786789   2.503321   2.468491   3.723842   1.554284
     9  H    1.084640   2.243003   2.110890   2.761745   3.441321
    10  H    2.151643   1.095903   3.199717   4.536286   3.543747
    11  H    2.148614   1.096264   3.174397   4.498224   3.524849
    12  H    2.655619   4.157880   2.150933   1.090480   3.517460
    13  H    3.229331   4.508649   2.146177   1.094721   2.863907
    14  H    3.214760   4.478798   2.142149   1.094992   2.874836
    15  H    3.355691   3.854379   2.183209   2.672575   1.090774
    16  C    3.152732   3.007744   3.001500   3.997739   2.669167
    17  C    4.376994   3.907430   3.888432   4.968070   2.572819
    18  H    3.459005   2.188022   3.810095   5.289984   3.114145
    19  H    3.865586   3.459218   3.433899   4.563036   2.222768
    20  H    2.780485   2.677408   2.633799   3.741909   2.258150
    21  H    2.544189   2.685533   2.646364   3.549967   2.898157
    22  H    3.896164   4.010530   3.439088   4.098882   3.034912
    23  H    3.886191   3.374042   3.973851   5.054136   3.579554
    24  H    4.761373   4.247107   4.224779   5.301645   2.762034
    25  H    4.948704   4.217654   4.689808   5.857738   3.511709
    26  H    4.920180   4.713233   4.212010   5.021070   2.932835
                    6          7          8          9         10
     6  C    0.000000
     7  C    1.567341   0.000000
     8  C    2.156272   1.549870   0.000000
     9  H    3.907457   3.504600   3.808307   0.000000
    10  H    3.501568   2.164520   2.869652   2.595349   0.000000
    11  H    2.909133   2.174146   3.459506   2.599125   1.748499
    12  H    4.564928   4.816274   4.496333   2.458485   4.701666
    13  H    4.301270   4.648111   3.809767   3.534092   5.030691
    14  H    3.838144   4.635582   4.277487   3.518043   5.290440
    15  H    2.294147   3.117109   2.291711   4.278210   4.607035
    16  C    1.521194   2.660878   3.564190   3.934077   4.086247
    17  C    1.528608   2.568107   2.863304   5.424551   4.720490
    18  H    2.282730   1.091691   2.281898   4.382035   2.502456
    19  H    2.611293   2.213100   1.086492   4.894307   3.753711
    20  H    3.135690   2.265306   1.089278   3.622555   2.688776
    21  H    2.186680   2.920008   3.830899   3.107310   3.760052
    22  H    2.159121   3.577305   4.202131   4.626907   5.098644
    23  H    2.157576   2.992340   4.181367   4.613510   4.365391
    24  H    2.199731   2.758158   2.608422   5.843906   4.878553
    25  H    2.164305   2.927623   3.613883   5.954377   4.989039
    26  H    2.165437   3.507028   3.616224   5.924788   5.609753
                   11         12         13         14         15
    11  H    0.000000
    12  H    4.671037   0.000000
    13  H    5.283572   1.772237   0.000000
    14  H    4.946596   1.771564   1.754620   0.000000
    15  H    4.587825   3.741209   2.673106   2.711564   0.000000
    16  C    2.853067   4.600633   4.803817   3.807324   3.264521
    17  C    4.210720   5.882872   5.319110   4.882959   2.799433
    18  H    2.534664   5.887776   5.717722   5.706497   4.026891
    19  H    4.334220   5.427151   4.503311   5.008015   2.586456
    20  H    3.756627   4.357774   3.675802   4.519364   2.921114
    21  H    2.411440   3.927076   4.503400   3.447627   3.603068
    22  H    3.911568   4.771228   4.865990   3.621091   3.281243
    23  H    2.939098   5.594667   5.869952   4.885783   4.219048
    24  H    4.742901   6.264383   5.452672   5.345081   2.869573
    25  H    4.291639   6.698232   6.303267   5.763905   3.865694
    26  H    4.983703   5.987924   5.345021   4.711320   2.798280
                   16         17         18         19         20
    16  C    0.000000
    17  C    2.472994   0.000000
    18  H    3.252189   2.782880   0.000000
    19  H    4.128866   2.702848   2.562438   0.000000
    20  H    4.417048   3.952549   2.930225   1.777037   0.000000
    21  H    1.087231   3.448844   3.640176   4.611132   4.475736
    22  H    1.093337   2.685285   4.194494   4.652422   5.090749
    23  H    1.093338   2.717527   3.232933   4.641432   5.064004
    24  H    3.452218   1.088710   2.851782   2.050972   3.639838
    25  H    2.703051   1.093066   2.780490   3.440914   4.679382
    26  H    2.706382   1.092899   3.849681   3.446476   4.678146
                   21         22         23         24         25
    21  H    0.000000
    22  H    1.761903   0.000000
    23  H    1.766683   1.761555   0.000000
    24  H    4.336050   3.706149   3.728985   0.000000
    25  H    3.725951   3.007782   2.487319   1.760939   0.000000
    26  H    3.709940   2.455880   3.062700   1.761424   1.763430
                   26
    26  H    0.000000
 Stoichiometry    C10H16
 Framework group  C1[X(C10H16)]
 Deg. of freedom    72
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 3.93D-17
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        1.503651    0.908216    0.507488
      2          6           0        0.290384    1.804712    0.536372
      3          6           0        1.436486   -0.280373   -0.092333
      4          6           0        2.556356   -1.268228   -0.145852
      5          6           0        0.123938   -0.632595   -0.761632
      6          6           0       -1.078310   -0.328744    0.207184
      7          6           0       -0.867453    1.159910   -0.235542
      8          6           0       -0.320490    0.612788   -1.578519
      9          1           0        2.411320    1.240625    0.999510
     10          1           0        0.526867    2.781351    0.099045
     11          1           0       -0.005727    2.005386    1.572636
     12          1           0        3.449206   -0.892879    0.355226
     13          1           0        2.817419   -1.510836   -1.180937
     14          1           0        2.264835   -2.210108    0.330473
     15          1           0        0.146974   -1.606808   -1.251700
     16          6           0       -0.951378   -0.684230    1.680802
     17          6           0       -2.395364   -0.902700   -0.314912
     18          1           0       -1.749053    1.803451   -0.256178
     19          1           0       -1.103985    0.399461   -2.300386
     20          1           0        0.473946    1.180887   -2.060869
     21          1           0       -0.016390   -0.343402    2.118644
     22          1           0       -1.008073   -1.767780    1.815303
     23          1           0       -1.775477   -0.242117    2.247181
     24          1           0       -2.569985   -0.690863   -1.368440
     25          1           0       -3.236117   -0.490937    0.249338
     26          1           0       -2.412689   -1.987970   -0.187175
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           1.9468256           1.2329030           1.1311138
 Leave Link  202 at Fri Jul 16 19:14:03 2021, MaxMem=  5637144576 cpu:               0.8 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:       9     10     11     12     13     14     15     18     19     20
 Centers:      21     22     23     24     25     26
 S 4 1.00
     Exponent=  1.3010000000D+01 Coefficients=  1.9685000000D-02
     Exponent=  1.9620000000D+00 Coefficients=  1.3797700000D-01
     Exponent=  4.4460000000D-01 Coefficients=  4.7814800000D-01
     Exponent=  1.2200000000D-01 Coefficients=  5.0124000000D-01
 S 1 1.00
     Exponent=  1.2200000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.9740000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  7.2700000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.4100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      5      6      7      8     16     17
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients=  6.9200000000D-04
     Exponent=  1.0000000000D+03 Coefficients=  5.3290000000D-03
     Exponent=  2.2800000000D+02 Coefficients=  2.7077000000D-02
     Exponent=  6.4710000000D+01 Coefficients=  1.0171800000D-01
     Exponent=  2.1060000000D+01 Coefficients=  2.7474000000D-01
     Exponent=  7.4950000000D+00 Coefficients=  4.4856400000D-01
     Exponent=  2.7970000000D+00 Coefficients=  2.8507400000D-01
     Exponent=  5.2150000000D-01 Coefficients=  1.5204000000D-02
     Exponent=  1.5960000000D-01 Coefficients= -3.1910000000D-03
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients= -1.4600000000D-04
     Exponent=  1.0000000000D+03 Coefficients= -1.1540000000D-03
     Exponent=  2.2800000000D+02 Coefficients= -5.7250000000D-03
     Exponent=  6.4710000000D+01 Coefficients= -2.3312000000D-02
     Exponent=  2.1060000000D+01 Coefficients= -6.3955000000D-02
     Exponent=  7.4950000000D+00 Coefficients= -1.4998100000D-01
     Exponent=  2.7970000000D+00 Coefficients= -1.2726200000D-01
     Exponent=  5.2150000000D-01 Coefficients=  5.4452900000D-01
     Exponent=  1.5960000000D-01 Coefficients=  5.8049600000D-01
 S 1 1.00
     Exponent=  1.5960000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.6900000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  9.4390000000D+00 Coefficients=  3.8109000000D-02
     Exponent=  2.0020000000D+00 Coefficients=  2.0948000000D-01
     Exponent=  5.4560000000D-01 Coefficients=  5.0855700000D-01
     Exponent=  1.5170000000D-01 Coefficients=  4.6884200000D-01
 P 1 1.00
     Exponent=  1.5170000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  4.0410000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  5.5000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.5100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 Ernie:  30 primitive shells out of 408 were deleted.
 There are   394 symmetry adapted cartesian basis functions of A   symmetry.
 There are   374 symmetry adapted basis functions of A   symmetry.
   374 basis functions,   662 primitive gaussians,   394 cartesian basis functions
    38 alpha electrons       38 beta electrons
       nuclear repulsion energy       568.6660221298 Hartrees.
 IExCor=11009 DFT=T Ex=LC-PBE+HF Corr=PBE ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=  4
 HFx  wShort=  0.000000 wLong=  0.256000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 DFx  wShort=  0.000000 wLong=  0.256000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   26 NActive=   26 NUniq=   26 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 Leave Link  301 at Fri Jul 16 19:14:07 2021, MaxMem=  5637144576 cpu:              20.6 elap:               2.9
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   374 RedAO= T EigKep=  2.65D-06  NBF=   374
 NBsUse=   374 1.00D-06 EigRej= -1.00D+00 NBFU=   374
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   394   394   394   394   394 MxSgAt=    26 MxSgA2=    26.
 Leave Link  302 at Fri Jul 16 19:14:08 2021, MaxMem=  5637144576 cpu:               6.4 elap:               0.9
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Fri Jul 16 19:14:09 2021, MaxMem=  5637144576 cpu:               2.9 elap:               0.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "05_alphapinene_STD_LCPBE_augccpVDZ.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=    -0.000000    0.000000    0.000000
         Rot=    1.000000    0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Fri Jul 16 19:14:10 2021, MaxMem=  5637144576 cpu:               7.7 elap:               1.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5637144576 LenX=  5636827066 LenY=  5636671389
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -389.392510128824    
 DIIS: error= 2.69D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -389.392510128824     IErMin= 1 ErrMin= 2.69D-03
 ErrMax= 2.69D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.11D-02 BMatP= 1.11D-02
 IDIUse=3 WtCom= 9.73D-01 WtEn= 2.69D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.388 Goal=   None    Shift=    0.000
 GapD=    0.388 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=3.61D-02 MaxDP=4.39D+00              OVMax= 1.46D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  2.61D-02    CP:  1.67D+00
 E= -389.403754805120     Delta-E=       -0.011244676296 Rises=F Damp=F
 DIIS: error= 5.96D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -389.403754805120     IErMin= 2 ErrMin= 5.96D-04
 ErrMax= 5.96D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.26D-04 BMatP= 1.11D-02
 IDIUse=3 WtCom= 9.94D-01 WtEn= 5.96D-03
 Coeff-Com: -0.493D-02 0.100D+01
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:     -0.490D-02 0.100D+01
 Gap=     0.334 Goal=   None    Shift=    0.000
 RMSDP=5.54D-03 MaxDP=7.73D-01 DE=-1.12D-02 OVMax= 4.12D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  1.33D-03    CP:  1.77D+00  1.14D+00
 E= -389.403996517777     Delta-E=       -0.000241712657 Rises=F Damp=F
 DIIS: error= 5.69D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -389.403996517777     IErMin= 3 ErrMin= 5.69D-04
 ErrMax= 5.69D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.90D-04 BMatP= 3.26D-04
 IDIUse=3 WtCom= 9.94D-01 WtEn= 5.69D-03
 Coeff-Com: -0.216D-01 0.434D+00 0.588D+00
 Coeff-En:   0.000D+00 0.121D+00 0.879D+00
 Coeff:     -0.215D-01 0.432D+00 0.589D+00
 Gap=     0.337 Goal=   None    Shift=    0.000
 RMSDP=7.33D-04 MaxDP=7.94D-02 DE=-2.42D-04 OVMax= 2.68D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  2.59D-04    CP:  1.78D+00  1.16D+00  9.73D-01
 E= -389.404182174089     Delta-E=       -0.000185656312 Rises=F Damp=F
 DIIS: error= 1.11D-04 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -389.404182174089     IErMin= 4 ErrMin= 1.11D-04
 ErrMax= 1.11D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.61D-06 BMatP= 1.90D-04
 IDIUse=3 WtCom= 9.99D-01 WtEn= 1.11D-03
 Coeff-Com: -0.517D-02-0.666D-03 0.161D+00 0.845D+00
 Coeff-En:   0.000D+00 0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.517D-02-0.665D-03 0.161D+00 0.845D+00
 Gap=     0.337 Goal=   None    Shift=    0.000
 RMSDP=2.25D-04 MaxDP=3.17D-02 DE=-1.86D-04 OVMax= 7.94D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  7.33D-05    CP:  1.79D+00  1.17D+00  1.05D+00  9.96D-01
 E= -389.404192168506     Delta-E=       -0.000009994417 Rises=F Damp=F
 DIIS: error= 2.68D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -389.404192168506     IErMin= 5 ErrMin= 2.68D-05
 ErrMax= 2.68D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.39D-06 BMatP= 9.61D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.987D-04-0.388D-01 0.175D-01 0.351D+00 0.670D+00
 Coeff:     -0.987D-04-0.388D-01 0.175D-01 0.351D+00 0.670D+00
 Gap=     0.337 Goal=   None    Shift=    0.000
 RMSDP=3.81D-05 MaxDP=4.75D-03 DE=-9.99D-06 OVMax= 3.75D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  1.99D-05    CP:  1.79D+00  1.17D+00  1.06D+00  1.04D+00  9.43D-01
 E= -389.404193509784     Delta-E=       -0.000001341278 Rises=F Damp=F
 DIIS: error= 7.14D-06 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -389.404193509784     IErMin= 6 ErrMin= 7.14D-06
 ErrMax= 7.14D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.20D-08 BMatP= 1.39D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.476D-03-0.120D-01-0.753D-02 0.398D-01 0.214D+00 0.765D+00
 Coeff:      0.476D-03-0.120D-01-0.753D-02 0.398D-01 0.214D+00 0.765D+00
 Gap=     0.337 Goal=   None    Shift=    0.000
 RMSDP=6.90D-06 MaxDP=4.22D-04 DE=-1.34D-06 OVMax= 1.31D-04

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  5.74D-06    CP:  1.79D+00  1.17D+00  1.06D+00  1.05D+00  9.74D-01
                    CP:  1.02D+00
 E= -389.404193587001     Delta-E=       -0.000000077217 Rises=F Damp=F
 DIIS: error= 4.04D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -389.404193587001     IErMin= 7 ErrMin= 4.04D-06
 ErrMax= 4.04D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.31D-08 BMatP= 7.20D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.216D-03-0.246D-02-0.440D-02-0.872D-02 0.450D-01 0.353D+00
 Coeff-Com:  0.617D+00
 Coeff:      0.216D-03-0.246D-02-0.440D-02-0.872D-02 0.450D-01 0.353D+00
 Coeff:      0.617D+00
 Gap=     0.337 Goal=   None    Shift=    0.000
 RMSDP=4.62D-06 MaxDP=6.13D-04 DE=-7.72D-08 OVMax= 4.81D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  2.02D-06    CP:  1.79D+00  1.17D+00  1.06D+00  1.05D+00  9.81D-01
                    CP:  1.07D+00  9.67D-01
 E= -389.404193600878     Delta-E=       -0.000000013877 Rises=F Damp=F
 DIIS: error= 6.36D-07 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -389.404193600878     IErMin= 8 ErrMin= 6.36D-07
 ErrMax= 6.36D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.05D-10 BMatP= 1.31D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.191D-04 0.123D-02-0.877D-04-0.101D-01-0.239D-01-0.202D-01
 Coeff-Com:  0.167D+00 0.886D+00
 Coeff:     -0.191D-04 0.123D-02-0.877D-04-0.101D-01-0.239D-01-0.202D-01
 Coeff:      0.167D+00 0.886D+00
 Gap=     0.337 Goal=   None    Shift=    0.000
 RMSDP=1.95D-06 MaxDP=2.23D-04 DE=-1.39D-08 OVMax= 1.24D-05

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  8.75D-07    CP:  1.79D+00  1.17D+00  1.06D+00  1.05D+00  9.81D-01
                    CP:  1.08D+00  1.07D+00  1.12D+00
 E= -389.404193602055     Delta-E=       -0.000000001178 Rises=F Damp=F
 DIIS: error= 1.24D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -389.404193602055     IErMin= 9 ErrMin= 1.24D-07
 ErrMax= 1.24D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.23D-11 BMatP= 7.05D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.112D-04 0.340D-03 0.112D-03-0.160D-02-0.641D-02-0.162D-01
 Coeff-Com:  0.102D-01 0.163D+00 0.850D+00
 Coeff:     -0.112D-04 0.340D-03 0.112D-03-0.160D-02-0.641D-02-0.162D-01
 Coeff:      0.102D-01 0.163D+00 0.850D+00
 Gap=     0.337 Goal=   None    Shift=    0.000
 RMSDP=2.69D-07 MaxDP=1.16D-05 DE=-1.18D-09 OVMax= 2.82D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  1.46D-07    CP:  1.79D+00  1.17D+00  1.06D+00  1.05D+00  9.81D-01
                    CP:  1.08D+00  1.08D+00  1.18D+00  1.15D+00
 E= -389.404193602058     Delta-E=       -0.000000000003 Rises=F Damp=F
 DIIS: error= 5.63D-08 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -389.404193602058     IErMin=10 ErrMin= 5.63D-08
 ErrMax= 5.63D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.78D-12 BMatP= 2.23D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.172D-05-0.292D-04 0.451D-04 0.698D-03 0.730D-03-0.280D-02
 Coeff-Com: -0.169D-01-0.544D-01 0.286D+00 0.787D+00
 Coeff:     -0.172D-05-0.292D-04 0.451D-04 0.698D-03 0.730D-03-0.280D-02
 Coeff:     -0.169D-01-0.544D-01 0.286D+00 0.787D+00
 Gap=     0.337 Goal=   None    Shift=    0.000
 RMSDP=1.35D-07 MaxDP=1.39D-05 DE=-2.84D-12 OVMax= 1.19D-06

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  5.61D-08    CP:  1.79D+00  1.17D+00  1.06D+00  1.05D+00  9.81D-01
                    CP:  1.08D+00  1.09D+00  1.19D+00  1.20D+00  9.95D-01
 E= -389.404193602071     Delta-E=       -0.000000000013 Rises=F Damp=F
 DIIS: error= 1.75D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -389.404193602071     IErMin=11 ErrMin= 1.75D-08
 ErrMax= 1.75D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.52D-13 BMatP= 4.78D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.543D-06-0.430D-04 0.160D-05 0.360D-03 0.865D-03 0.767D-03
 Coeff-Com: -0.621D-02-0.329D-01 0.464D-02 0.232D+00 0.801D+00
 Coeff:      0.543D-06-0.430D-04 0.160D-05 0.360D-03 0.865D-03 0.767D-03
 Coeff:     -0.621D-02-0.329D-01 0.464D-02 0.232D+00 0.801D+00
 Gap=     0.337 Goal=   None    Shift=    0.000
 RMSDP=3.73D-08 MaxDP=4.14D-06 DE=-1.28D-11 OVMax= 3.83D-07

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  1.34D-08    CP:  1.79D+00  1.17D+00  1.06D+00  1.05D+00  9.81D-01
                    CP:  1.08D+00  1.09D+00  1.19D+00  1.21D+00  1.05D+00
                    CP:  1.08D+00
 E= -389.404193602093     Delta-E=       -0.000000000022 Rises=F Damp=F
 DIIS: error= 3.82D-09 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=12 EnMin= -389.404193602093     IErMin=12 ErrMin= 3.82D-09
 ErrMax= 3.82D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.69D-14 BMatP= 3.52D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.189D-06-0.363D-05-0.189D-05-0.377D-06 0.687D-04 0.249D-03
 Coeff-Com:  0.306D-03-0.567D-03-0.172D-01-0.247D-01 0.102D+00 0.940D+00
 Coeff:      0.189D-06-0.363D-05-0.189D-05-0.377D-06 0.687D-04 0.249D-03
 Coeff:      0.306D-03-0.567D-03-0.172D-01-0.247D-01 0.102D+00 0.940D+00
 Gap=     0.337 Goal=   None    Shift=    0.000
 RMSDP=7.16D-09 MaxDP=3.53D-07 DE=-2.23D-11 OVMax= 1.38D-07

 SCF Done:  E(RLC-PBE+HF-PBE) =  -389.404193602     A.U. after   12 cycles
            NFock= 12  Conv=0.72D-08     -V/T= 2.0051
 KE= 3.874270862039D+02 PE=-2.040602523022D+03 EE= 6.951052210863D+02
 Leave Link  502 at Fri Jul 16 19:23:50 2021, MaxMem=  5637144576 cpu:            4630.4 elap:             579.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   374
 NBasis=   374 NAE=    38 NBE=    38 NFC=     0 NFV=     0
 NROrb=    374 NOA=    38 NOB=    38 NVA=   336 NVB=   336

 **** Warning!!: The largest alpha MO coefficient is  0.90847989D+02

 Leave Link  801 at Fri Jul 16 19:23:50 2021, MaxMem=  5637144576 cpu:               0.6 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         8043 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    5637144576 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.093368
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          26
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 2.13D-13 8.33D-09 XBig12= 1.00D+00 1.98D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 2.13D-13 8.33D-09 XBig12= 1.99D-01 4.16D-02.
     11 vectors produced by pass  2 Test12= 2.13D-13 8.33D-09 XBig12= 4.93D-02 4.93D-02.
     11 vectors produced by pass  3 Test12= 2.13D-13 8.33D-09 XBig12= 3.28D-03 9.88D-03.
     11 vectors produced by pass  4 Test12= 2.13D-13 8.33D-09 XBig12= 2.22D-04 2.12D-03.
     11 vectors produced by pass  5 Test12= 2.13D-13 8.33D-09 XBig12= 2.10D-05 6.02D-04.
     11 vectors produced by pass  6 Test12= 2.13D-13 8.33D-09 XBig12= 1.26D-06 2.28D-04.
     11 vectors produced by pass  7 Test12= 2.13D-13 8.33D-09 XBig12= 6.31D-08 5.06D-05.
     11 vectors produced by pass  8 Test12= 2.13D-13 8.33D-09 XBig12= 2.03D-09 5.82D-06.
     11 vectors produced by pass  9 Test12= 2.13D-13 8.33D-09 XBig12= 5.91D-11 1.02D-06.
      8 vectors produced by pass 10 Test12= 2.13D-13 8.33D-09 XBig12= 1.21D-12 1.36D-07.
      2 vectors produced by pass 11 Test12= 2.13D-13 8.33D-09 XBig12= 2.90D-14 1.73D-08.
      2 vectors produced by pass 12 Test12= 2.13D-13 8.33D-09 XBig12= 2.47D-14 1.02D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 7.11D-14
 Solved reduced A of dimension   122 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.093368:
                1             2             3 
      1  0.125782D+03
      2 -0.460208D+00  0.122129D+03
      3  0.479139D+00  0.465578D+01  0.109736D+03
 Isotropic polarizability for W=    0.093368      119.22 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.093368:
                 1             2             3 
      1   0.123292D+02 -0.395551D+02  0.385612D+00
      2   0.523329D+01  0.201248D+02  0.730217D+01
      3  -0.175625D+02  0.194303D+02 -0.768778D+01
      4  -0.412137D+02  0.349721D+02  0.268152D+02
      5   0.139011D+02  0.242724D+02 -0.203676D+02
      6   0.101963D+02  0.187272D+02 -0.340826D+00
 Dipole-magnetic dipole polarizability for W=    0.093368:
                 1             2             3 
      1  -0.177521D+00  0.323478D+01  0.533293D+01
      2   0.364279D+01  0.157342D+02 -0.401839D+01
      3   0.813348D+01 -0.233935D+02 -0.147948D+02
 DQ contribution to OR G for W=    0.093368:
                 1             2             3 
      1  -0.254274D+01  0.114251D+02  0.197711D+02
      2  -0.135154D+02  0.166188D+02 -0.280507D+01
      3  -0.165859D+01 -0.297388D+02 -0.140761D+02
 Optical Rotation G' tensor for W=    0.093368:
                 1             2             3 
      1  -0.165980D+00 -0.198069D+01 -0.110253D+01
      2  -0.198069D+01 -0.333146D+01  0.278499D+01
      3  -0.110253D+01  0.278499D+01  0.425932D+01
 OR G Eigenvalues:    -4.7889    -0.1159     5.6667  Iso=    -0.2540
 Eigenvectors:
   (1)   0.333394   0.911728  -0.240001
   (2)   0.898711  -0.230412   0.373133
   (3)  -0.284897   0.340093   0.896198
 w=    0.093368 a.u., Optical Rotation Beta=     -0.2540 au.
 Molar Mass =    136.2364 grams/mole, [Alpha] ( 4880.0 A) =     -105.07 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   70125 ScalPx= 1.09D+02
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   70125 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 2.38D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 3.55D-14 2.78D-09 XBig12= 1.00D+00 3.41D-01.
     30 vectors produced by pass  1 Test12= 3.55D-14 2.78D-09 XBig12= 2.61D-02 1.52D-02.
     30 vectors produced by pass  2 Test12= 3.55D-14 2.78D-09 XBig12= 1.95D-03 5.60D-03.
     30 vectors produced by pass  3 Test12= 3.55D-14 2.78D-09 XBig12= 3.69D-05 5.25D-04.
     30 vectors produced by pass  4 Test12= 3.55D-14 2.78D-09 XBig12= 7.49D-07 8.81D-05.
     30 vectors produced by pass  5 Test12= 3.55D-14 2.78D-09 XBig12= 8.38D-09 8.45D-06.
     30 vectors produced by pass  6 Test12= 3.55D-14 2.78D-09 XBig12= 7.92D-11 7.49D-07.
     30 vectors produced by pass  7 Test12= 3.55D-14 2.78D-09 XBig12= 6.01D-13 5.66D-08.
     15 vectors produced by pass  8 Test12= 3.55D-14 2.78D-09 XBig12= 6.55D-15 6.79D-09.
      3 vectors produced by pass  9 Test12= 3.55D-14 2.78D-09 XBig12= 1.70D-15 4.25D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 1.33D-15
 Solved reduced A of dimension   258 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   70125 ScalPx= 5.78D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   70125 ScalPx= 5.78D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   70125 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 5.25D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) frequency  1    0.093368:
                 1             2             3 
      1   0.125782D+03 -0.460208D+00  0.479139D+00
      2  -0.460208D+00  0.122129D+03  0.465578D+01
      3   0.479139D+00  0.465578D+01  0.109736D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.093368:
                 1             2             3 
      1  -0.177521D+00  0.323478D+01  0.533293D+01
      2   0.364279D+01  0.157342D+02 -0.401839D+01
      3   0.813348D+01 -0.233935D+02 -0.147948D+02
 Property number 4 -- D-Q polarizability frequency  1    0.093368:
                 1             2             3 
      1   0.123292D+02 -0.395551D+02  0.385612D+00
      2   0.523329D+01  0.201248D+02  0.730217D+01
      3  -0.175625D+02  0.194303D+02 -0.768778D+01
      4  -0.412137D+02  0.349721D+02  0.268152D+02
      5   0.139011D+02  0.242724D+02 -0.203676D+02
      6   0.101963D+02  0.187272D+02 -0.340826D+00
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    78 ND12= 1 LenFil=    2811:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1  -0.364012D+01  0.381367D+00 -0.164679D+01  0.236184D+01 -0.886275D+00
      2   0.381367D+00 -0.986483D+00 -0.253590D+01 -0.886275D+00  0.158075D+02
      3  -0.164679D+01 -0.253590D+01 -0.213854D+01 -0.206488D+01  0.306755D+01
                 6             7             8             9            10 
      1  -0.206488D+01 -0.121890D+01 -0.308214D+01 -0.173503D+01  0.898096D+00
      2   0.306755D+01 -0.308214D+01  0.213419D+01  0.360802D+01  0.387389D+00
      3   0.289048D+01 -0.173503D+01  0.360802D+01  0.530010D+01  0.360651D+00
                11            12            13            14            15 
      1   0.387389D+00  0.360651D+00  0.124719D+01  0.367493D+00  0.200524D+01
      2   0.104698D+01  0.325978D+01  0.367493D+00 -0.114050D+02  0.450263D+00
      3   0.325978D+01  0.269127D+01  0.200524D+01  0.450263D+00 -0.140126D+01
                16            17            18            19            20 
      1   0.895221D+00  0.297841D+01  0.270597D+01  0.258472D+01 -0.302742D+01
      2   0.297841D+01  0.217446D+01 -0.383045D+01 -0.302742D+01  0.162990D+01
      3   0.270597D+01 -0.383045D+01 -0.561736D+01 -0.611756D+00  0.114392D+01
                21            22            23            24            25 
      1  -0.611756D+00 -0.307638D+01  0.159623D+01  0.134607D+01 -0.128357D+01
      2   0.114392D+01  0.159623D+01 -0.160036D+02 -0.419797D+01  0.527871D+00
      3   0.736460D+00  0.134607D+01 -0.419797D+01 -0.403605D+01  0.151239D+01
                26            27            28            29            30 
      1   0.527871D+00  0.151239D+01 -0.497891D+01 -0.310436D+00 -0.118655D+01
      2  -0.437780D+01 -0.388664D+01 -0.310436D+00 -0.879071D+00 -0.277508D+01
      3  -0.388664D+01 -0.430067D+01 -0.118655D+01 -0.277508D+01 -0.262189D+01
                31            32            33            34            35 
      1  -0.188853D+01 -0.266464D+01 -0.264401D+01 -0.139695D+01 -0.275899D+01
      2  -0.266464D+01  0.981973D+01 -0.236874D+00 -0.275899D+01 -0.693677D+00
      3  -0.264401D+01 -0.236874D+00  0.173762D+01 -0.418519D+01  0.374027D+01
                36            37            38            39            40 
      1  -0.418519D+01  0.453912D+01  0.194917D+01 -0.236554D+01 -0.184907D+01
      2   0.374027D+01  0.194917D+01  0.976119D+00 -0.836805D+00 -0.623928D-01
      3   0.464493D+01 -0.236554D+01 -0.836805D+00  0.347500D+01 -0.184521D+01
                41            42            43            44            45 
      1  -0.623928D-01 -0.184521D+01 -0.546705D+01 -0.106512D+01  0.231426D+01
      2   0.442212D+01  0.387376D+01 -0.106512D+01  0.348200D+01  0.439493D+00
      3   0.387376D+01 -0.140410D+01  0.231426D+01  0.439493D+00  0.379906D+00
                46            47            48            49            50 
      1  -0.418382D+01  0.120694D+01  0.472166D+01  0.327387D+01 -0.164358D+01
      2   0.120694D+01 -0.154410D+01  0.530368D+00 -0.164358D+01 -0.765879D+01
      3   0.472166D+01  0.530368D+00 -0.173039D+01  0.104704D+01  0.152278D+01
                51            52            53            54            55 
      1   0.104704D+01  0.738558D+01  0.106208D+01 -0.156602D+01  0.294751D+01
      2   0.152278D+01  0.106208D+01  0.250227D+01  0.137599D+01 -0.386367D+01
      3   0.956240D+00 -0.156602D+01  0.137599D+01 -0.226535D+01 -0.144810D+01
                56            57            58            59            60 
      1  -0.386367D+01 -0.144810D+01 -0.356289D+01  0.471194D+01 -0.151783D+01
      2   0.440236D+01 -0.135735D+01  0.471194D+01  0.305348D+01 -0.247289D+01
      3  -0.135735D+01 -0.135657D+01 -0.151783D+01 -0.247289D+01  0.292665D+01
                61            62            63            64            65 
      1  -0.153748D+01 -0.166683D+01 -0.155804D+01  0.279402D+00 -0.964126D+00
      2  -0.166683D+01 -0.316840D+01  0.156140D+01 -0.964126D+00 -0.236517D+01
      3  -0.155804D+01  0.156140D+01  0.314491D+01  0.347963D+01  0.376999D+01
                66            67            68            69            70 
      1   0.347963D+01  0.465587D+00 -0.182385D+01  0.439576D+01  0.307868D+01
      2   0.376999D+01 -0.182385D+01  0.107861D+01 -0.889617D+00  0.285405D+01
      3   0.759489D+00  0.439576D+01 -0.889617D+00 -0.876809D+00  0.106237D+01
                71            72            73            74            75 
      1   0.285405D+01  0.106237D+01  0.788285D+01  0.259671D+01  0.327986D+01
      2  -0.588436D+00 -0.143172D+01  0.259671D+01  0.140450D+01  0.130515D+01
      3  -0.143172D+01 -0.234520D+00  0.327986D+01  0.130515D+01  0.239421D+01
                76            77            78            79            80 
      1   0.195424D+01  0.135078D+01  0.926200D+00  0.341557D+01  0.163621D+01
      2   0.135078D+01  0.212419D+01  0.148034D+01  0.163621D+01  0.204410D+01
      3   0.926200D+00  0.148034D+01  0.133702D+01  0.220823D+01  0.842216D+00
                81            82            83            84            85 
      1   0.220823D+01  0.888016D+00  0.139510D+01 -0.347632D+00  0.149658D+01
      2   0.842216D+00  0.139510D+01  0.211736D+01 -0.267413D+00  0.106016D+01
      3   0.141136D+01 -0.347632D+00 -0.267413D+00 -0.128511D+00 -0.288882D+00
                86            87            88            89            90 
      1   0.106016D+01 -0.288882D+00 -0.812884D+00 -0.722497D+00 -0.144509D+00
      2   0.133207D+02 -0.831690D+00 -0.722497D+00 -0.372426D+01  0.209417D+01
      3  -0.831690D+00  0.112692D+01 -0.144509D+00  0.209417D+01 -0.866339D-01
                91            92            93            94            95 
      1  -0.124891D+01  0.693680D+00  0.134685D+01  0.215597D+00 -0.700759D+00
      2   0.693680D+00 -0.864284D+00 -0.117122D+01 -0.700759D+00  0.359550D+01
      3   0.134685D+01 -0.117122D+01 -0.179059D+01 -0.517936D+00  0.197478D+01
                96            97            98            99           100 
      1  -0.517936D+00  0.170346D+01 -0.138018D+01 -0.165992D+01  0.876939D+01
      2   0.197478D+01 -0.138018D+01  0.374391D+01  0.433338D+01 -0.113841D+00
      3   0.169011D+01 -0.165992D+01  0.433338D+01  0.810492D+01  0.205596D+01
               101           102           103           104           105 
      1  -0.113841D+00  0.205596D+01  0.304609D+01  0.514570D+00  0.650078D+00
      2   0.979839D+00  0.118111D+00  0.514570D+00  0.378929D+00  0.449156D+00
      3   0.118111D+00  0.168699D+01  0.650078D+00  0.449156D+00  0.492065D+00
               106           107           108           109           110 
      1   0.380925D+01 -0.199354D+00  0.211747D+01  0.230644D+01 -0.862003D+00
      2  -0.199354D+00  0.862280D+00 -0.197832D+00 -0.862003D+00  0.415070D+00
      3   0.211747D+01 -0.197832D+00  0.115682D+01 -0.152263D+01  0.920606D+00
               111           112           113           114           115 
      1  -0.152263D+01 -0.818820D+00  0.170471D+01  0.101329D+01 -0.375944D+01
      2   0.920606D+00  0.170471D+01 -0.318618D+01 -0.146388D+01  0.288522D+01
      3   0.169849D+01  0.101329D+01 -0.146388D+01 -0.160134D+01  0.348081D+01
               116           117           118           119           120 
      1   0.288522D+01  0.348081D+01 -0.395757D+00 -0.348632D+00  0.474948D+00
      2  -0.330597D+01 -0.351261D+01 -0.348632D+00 -0.200988D+01  0.439347D+00
      3  -0.351261D+01 -0.717876D+01  0.474948D+00  0.439347D+00 -0.124822D+00
               121           122           123           124           125 
      1  -0.208943D+01  0.192590D+01  0.322929D+00  0.103046D+01 -0.142304D+00
      2   0.192590D+01 -0.101755D+02  0.166591D+01 -0.142304D+00  0.313076D+01
      3   0.322929D+00  0.166591D+01 -0.156367D+01  0.730578D+00 -0.221679D+01
               126           127           128           129           130 
      1   0.730578D+00  0.406704D+00 -0.999405D+00 -0.756069D-01 -0.181322D+01
      2  -0.221679D+01 -0.999405D+00 -0.334170D+00  0.906543D-01  0.724243D+00
      3   0.586327D+00 -0.756069D-01  0.906543D-01 -0.179448D+00  0.374211D+00
               131           132           133           134           135 
      1   0.724243D+00  0.374211D+00 -0.124892D+00  0.479192D+00  0.881451D-01
      2  -0.768803D+01 -0.323575D+01  0.479192D+00 -0.281013D+01 -0.208942D+01
      3  -0.323575D+01 -0.230371D+01  0.881451D-01 -0.208942D+01 -0.225279D+01
               136           137           138           139           140 
      1  -0.570260D+00 -0.239530D+01 -0.439960D+01 -0.316000D+01  0.965947D+00
      2  -0.239530D+01  0.556756D+00  0.254267D+00  0.965947D+00  0.653888D+01
      3  -0.439960D+01  0.254267D+00  0.117220D+01  0.342110D+00 -0.257348D+01
               141           142           143           144           145 
      1   0.342110D+00 -0.483174D+01  0.939647D-01  0.150701D+01  0.209804D+01
      2  -0.257348D+01  0.939647D-01 -0.163354D+01 -0.171496D+01 -0.270554D+01
      3  -0.181499D+01  0.150701D+01 -0.171496D+01  0.144577D+01 -0.376934D+01
               146           147           148           149           150 
      1  -0.270554D+01 -0.376934D+01 -0.409477D+01  0.160281D+01 -0.188371D+00
      2   0.310613D+00 -0.186886D+00  0.160281D+01  0.733695D+01 -0.985104D+00
      3  -0.186886D+00  0.159233D+01 -0.188371D+00 -0.985104D+00 -0.184996D+01
               151           152           153           154           155 
      1  -0.468248D+01 -0.430957D-01  0.223902D+01 -0.683253D+01  0.429624D+01
      2  -0.430957D-01 -0.126057D+01 -0.153997D+01  0.429624D+01 -0.415119D+01
      3   0.223902D+01 -0.153997D+01  0.455704D+01  0.774211D-01  0.266330D+00
               156           157           158           159           160 
      1   0.774211D-01  0.329447D+01 -0.336938D+01  0.362323D+00  0.297685D+00
      2   0.266330D+00 -0.336938D+01  0.429722D+01  0.674071D-01  0.272793D+00
      3  -0.825535D+00  0.362323D+00  0.674071D-01  0.532438D+00 -0.894481D+00
               161           162           163           164           165 
      1   0.272793D+00 -0.894481D+00 -0.393808D+01 -0.330312D+00 -0.312417D+01
      2   0.263727D+00  0.886635D+00 -0.330312D+00 -0.658358D+00 -0.139892D+00
      3   0.886635D+00 -0.223278D+00 -0.312417D+01 -0.139892D+00 -0.413421D+01
               166           167           168           169           170 
      1  -0.828554D+00 -0.641240D+00 -0.643952D+00 -0.264320D+01 -0.248273D+00
      2  -0.641240D+00 -0.407370D+00 -0.701357D+00 -0.248273D+00 -0.634665D+00
      3  -0.643952D+00 -0.701357D+00 -0.686130D+00 -0.320077D+01 -0.204408D-01
               171           172           173           174           175 
      1  -0.320077D+01  0.314000D+01  0.156608D+01 -0.263159D+01  0.126423D+01
      2  -0.204408D-01  0.156608D+01  0.197648D+01 -0.208559D+01  0.138510D+01
      3  -0.627125D+01 -0.263159D+01 -0.208559D+01  0.345849D+01 -0.158502D+01
               176           177           178           179           180 
      1   0.138510D+01 -0.158502D+01 -0.145490D+01 -0.923602D+00  0.149131D+01
      2   0.240184D+01 -0.194510D+01 -0.923602D+00 -0.120349D+01  0.172452D+01
      3  -0.194510D+01  0.261182D+01  0.149131D+01  0.172452D+01 -0.408547D+01
               181           182           183           184           185 
      1   0.457370D+01  0.100887D+01  0.146204D+01  0.160114D+01  0.564798D+00
      2   0.100887D+01  0.101208D+01 -0.279367D+00  0.564798D+00 -0.104719D+00
      3   0.146204D+01 -0.279367D+00  0.316971D+01 -0.416031D-01  0.521693D+00
               186           187           188           189           190 
      1  -0.416031D-01  0.182567D+01  0.104324D+00  0.153118D+01 -0.385218D+00
      2   0.521693D+00  0.104324D+00  0.657470D+00  0.521829D+00 -0.751890D+00
      3   0.136828D+01  0.153118D+01  0.521829D+00  0.224924D+01  0.889184D+00
               191           192           193           194           195 
      1  -0.751890D+00  0.889184D+00 -0.124720D+01 -0.107909D+01  0.415805D+00
      2  -0.387833D+00  0.123726D+00 -0.107909D+01 -0.828907D+01  0.327254D+01
      3   0.123726D+00 -0.481583D+00  0.415805D+00  0.327254D+01 -0.280430D+01
               196           197           198           199           200 
      1   0.433603D+00  0.652984D-01 -0.336022D+00 -0.467550D+01  0.804870D+00
      2   0.652984D-01  0.104744D+01 -0.113423D+01  0.804870D+00 -0.118723D+01
      3  -0.336022D+00 -0.113423D+01  0.103144D+01  0.359196D+01 -0.349100D+00
               201           202           203           204           205 
      1   0.359196D+01  0.201349D+01 -0.992654D+00 -0.127123D+01  0.252418D+01
      2  -0.349100D+00 -0.992654D+00  0.249294D+00  0.114032D+01 -0.419344D+00
      3  -0.410514D+01 -0.127123D+01  0.114032D+01  0.208626D+01 -0.261698D+01
               206           207           208           209           210 
      1  -0.419344D+00 -0.261698D+01 -0.118736D+01  0.472178D+00 -0.110144D+01
      2   0.834711D+00  0.640069D+00  0.472178D+00 -0.101221D+00 -0.231613D-01
      3   0.640069D+00  0.394981D+01 -0.110144D+01 -0.231613D-01 -0.154057D+01
               211           212           213           214           215 
      1   0.118610D+01 -0.287253D+00  0.138146D+00 -0.264736D+01 -0.553939D+00
      2  -0.287253D+00 -0.322305D+00 -0.697290D+00 -0.553939D+00 -0.123870D+01
      3   0.138146D+00 -0.697290D+00  0.795884D+00 -0.246470D+01  0.257039D+00
               216           217           218           219           220 
      1  -0.246470D+01 -0.837209D+01  0.651804D+00  0.213125D+01  0.350659D+01
      2   0.257039D+00  0.651804D+00 -0.109790D+01 -0.266346D+00 -0.127737D+01
      3  -0.666453D+01  0.213125D+01 -0.266346D+00 -0.160729D+01 -0.601682D+00
               221           222           223           224           225 
      1  -0.127737D+01 -0.601682D+00  0.457036D+01 -0.630281D-01 -0.201516D+01
      2   0.109814D+00  0.516022D+00 -0.630281D-01  0.951714D+00  0.379462D+00
      3   0.516022D+00  0.930236D+00 -0.201516D+01  0.379462D+00  0.133957D+01
               226           227           228           229           230 
      1  -0.905439D+00 -0.737819D+00  0.359318D+00 -0.249818D+01 -0.304619D+01
      2  -0.737819D+00 -0.261177D+00  0.518795D-01 -0.304619D+01 -0.929412D+01
      3   0.359318D+00  0.518795D-01 -0.695508D-01 -0.128588D+00  0.228473D+00
               231           232           233           234 
      1  -0.128588D+00  0.891151D+00  0.309287D+00 -0.611925D+00
      2   0.228473D+00  0.309287D+00  0.810595D+00 -0.829432D+00
      3  -0.113970D+01 -0.611925D+00 -0.829432D+00 -0.121531D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1   0.144687D+01  0.999686D+00  0.104164D+00  0.263749D+01  0.948193D+01
      2   0.237294D+01 -0.199919D+01 -0.274060D+01 -0.335801D-01  0.911001D+01
      3  -0.284551D+01 -0.386384D+01  0.161254D+01  0.233789D+01 -0.433149D+02
                 6             7             8             9            10 
      1  -0.148472D+01  0.105303D+01  0.496643D+01  0.208184D+00 -0.799239D+00
      2   0.104652D+02 -0.924062D+01  0.139451D+02  0.150014D+02 -0.807822D+00
      3  -0.121972D+02  0.161520D+01 -0.956041D+01 -0.136177D+02  0.361224D+01
                11            12            13            14            15 
      1  -0.695716D+01 -0.359536D+01 -0.350472D+01 -0.167852D+02  0.490962D+00
      2   0.277541D+01  0.274076D+01  0.490751D+00 -0.442094D+01 -0.205621D+01
      3  -0.552975D+01 -0.324886D+01  0.351204D+01  0.943306D+01  0.585877D+01
                16            17            18            19            20 
      1  -0.538716D+01  0.170218D+02  0.135381D+02 -0.159345D+01 -0.207909D+01
      2  -0.497629D+00 -0.283985D+01 -0.548809D+01 -0.134820D+01  0.573655D+01
      3  -0.168223D+01  0.938772D+01  0.105625D+02  0.109901D+02 -0.668163D+01
                21            22            23            24            25 
      1  -0.407169D+00 -0.234787D+01 -0.120244D+02 -0.211643D+01 -0.280171D+01
      2   0.124839D+01  0.459513D+01 -0.105025D+02 -0.114532D+02 -0.525337D+01
      3  -0.443004D+01  0.224659D+01  0.421757D+02  0.135502D+02 -0.286132D+01
                26            27            28            29            30 
      1   0.452556D+01  0.274352D+01 -0.148792D+01 -0.572197D+01 -0.457279D+01
      2  -0.106031D+02 -0.162371D+02 -0.526675D+01 -0.897499D+01 -0.585054D+01
      3   0.136402D+02  0.110737D+02  0.103196D+02 -0.112443D+01  0.103885D+02
                31            32            33            34            35 
      1  -0.300237D+01 -0.632850D+01  0.199541D+01 -0.995954D+01  0.133424D+02
      2  -0.815721D+01 -0.270191D+01  0.385551D+01 -0.158256D+02  0.130921D+02
      3   0.135316D+02 -0.288160D+02  0.536511D+01  0.103751D+02  0.101357D+02
                36            37            38            39            40 
      1   0.944339D+01 -0.369362D+00  0.679223D+00  0.451553D+01 -0.435648D+01
      2   0.143137D+02  0.839130D+01  0.312448D+01  0.365692D+01 -0.290980D+01
      3  -0.397110D+01 -0.135600D+02 -0.833417D+01 -0.126107D+01  0.752938D+01
                41            42            43            44            45 
      1   0.715628D+00 -0.104357D+02  0.730530D+01  0.683900D+00  0.479969D+01
      2   0.263192D+01 -0.453836D+01 -0.926874D+01 -0.407671D+01  0.420127D+01
      3   0.204359D+01  0.281657D+01  0.434844D+01 -0.592922D+00 -0.612473D+01
                46            47            48            49            50 
      1   0.384998D+01 -0.438009D+00 -0.197310D+01 -0.796939D+00 -0.125599D+01
      2  -0.126853D+02 -0.275925D+01  0.636308D+01  0.100597D+01 -0.147108D+01
      3   0.116948D+02 -0.510961D+01 -0.156889D+01 -0.266689D+01 -0.152524D+02
                51            52            53            54            55 
      1  -0.212283D+01 -0.233824D+01  0.679024D+01 -0.295571D+01  0.279077D+01
      2  -0.818351D+00  0.136594D-01 -0.310424D+01  0.628666D+01  0.276137D+01
      3   0.209851D+01 -0.712182D+01  0.222955D+01  0.482271D+01 -0.358203D+01
                56            57            58            59            60 
      1   0.229912D+01  0.593129D+01  0.274956D+01  0.357163D+01 -0.630887D+01
      2   0.169082D+01  0.396059D+01  0.143651D+01  0.237735D+01 -0.340707D+01
      3  -0.532877D+01 -0.341664D+01  0.350239D+01  0.115929D+02 -0.487158D+01
                61            62            63            64            65 
      1   0.415790D+01  0.331524D+00 -0.840233D+01 -0.266051D+01  0.298759D+01
      2  -0.242200D+01 -0.245258D+01 -0.469208D+01 -0.120043D+01 -0.412409D+01
      3  -0.481861D+01 -0.600793D+01 -0.110125D+01  0.227351D+01 -0.410498D+01
                66            67            68            69            70 
      1  -0.120702D+02  0.599945D+01 -0.145822D+01  0.690186D+01 -0.100279D+02
      2   0.990314D+01 -0.903569D+00 -0.419333D+01  0.139074D+02  0.326137D+01
      3   0.641802D+01 -0.178973D+01 -0.198091D+01 -0.127947D+01  0.492020D+01
                71            72            73            74            75 
      1   0.738742D+01  0.214109D+01 -0.194400D+01  0.396703D+00 -0.304832D+01
      2   0.891371D+01  0.427927D+01 -0.648794D+00  0.109933D+01  0.606870D+01
      3   0.353162D+00  0.815418D+00  0.529048D+01 -0.239415D+01  0.142215D+01
                76            77            78            79            80 
      1  -0.346702D+00 -0.686452D+00 -0.121952D+01 -0.178215D+01  0.289319D+01
      2  -0.193823D+00  0.286071D+01  0.291131D+01  0.223030D+00 -0.153281D+01
      3   0.140590D+01 -0.250167D+01 -0.150316D+01  0.142195D+01 -0.413719D+01
                81            82            83            84            85 
      1  -0.119104D+01  0.170015D+01  0.262109D+01 -0.419959D-01  0.468403D+00
      2   0.132590D+01 -0.783390D+00 -0.351415D+00  0.144573D+01 -0.119123D+01
      3   0.143485D+01  0.213015D+01  0.941568D+00 -0.673244D+00  0.724141D+01
                86            87            88            89            90 
      1   0.126395D+02 -0.641091D+01  0.659124D+00 -0.722815D+01  0.255302D+01
      2   0.121664D+01  0.792631D+00 -0.700896D+00  0.910432D+00  0.335739D+00
      3  -0.542388D+01 -0.501365D+00 -0.282489D+01 -0.302410D+00 -0.192604D+01
                91            92            93            94            95 
      1  -0.306632D+01  0.169938D+01  0.410711D+01  0.287422D+00 -0.396400D+00
      2   0.225999D+01 -0.109517D+01 -0.809460D+00 -0.771050D+00  0.231498D+01
      3  -0.443291D+01  0.292753D+00  0.388473D+01  0.220651D+01 -0.411410D+01
                96            97            98            99           100 
      1  -0.281102D+01  0.321244D+01 -0.390742D+01 -0.170922D+02  0.370795D+01
      2   0.754720D+00 -0.566898D+01  0.285464D+01  0.434231D+01  0.737519D+01
      3  -0.262650D+01  0.780527D+01 -0.614901D+01 -0.702469D+01 -0.124622D+02
               101           102           103           104           105 
      1   0.924381D+00  0.266679D+01  0.753021D+00  0.121286D+01 -0.121516D+00
      2   0.319320D+00  0.810773D+01  0.183867D+01  0.140997D+01  0.224876D+01
      3  -0.573377D+01 -0.386313D+01 -0.315283D+01 -0.292174D+01 -0.227413D+01
               106           107           108           109           110 
      1   0.268630D+01  0.712098D+00  0.131013D+01 -0.238349D+01  0.162511D+01
      2   0.473203D+01  0.819639D-01  0.460353D+01 -0.294967D+01  0.237497D+01
      3  -0.509649D+01 -0.378319D+01 -0.208963D+01 -0.678231D+00 -0.221448D+01
               111           112           113           114           115 
      1   0.329933D+01  0.175979D+01 -0.705341D+00 -0.353143D+01  0.578697D+01
      2   0.537598D+01  0.256210D+01 -0.373509D+01 -0.468120D+01  0.604762D+01
      3  -0.131154D+01 -0.226621D+01  0.738592D+01  0.265222D+01 -0.170272D+01
               116           117           118           119           120 
      1  -0.380174D+01 -0.122764D+02  0.503805D+00  0.200661D+01 -0.512465D+00
      2  -0.872029D+01 -0.205481D+02  0.129722D+01  0.224657D+01  0.390648D+00
      3   0.587554D+01  0.512917D+01  0.233114D+01  0.551436D+01 -0.245262D+01
               121           122           123           124           125 
      1  -0.582433D+00  0.582928D+01 -0.569568D+01  0.137660D+01 -0.416408D+01
      2   0.130948D+01  0.467875D+01 -0.462740D+01  0.438146D+00 -0.536315D+01
      3   0.331344D+00  0.282767D+02 -0.583060D+01 -0.233018D+01 -0.999874D+01
               126           127           128           129           130 
      1   0.189917D+01  0.127777D+01 -0.312005D+00 -0.194760D+00 -0.550896D+00
      2   0.209381D+01  0.964595D+00 -0.863032D+00  0.110123D+01 -0.312957D+01
      3   0.533497D+01 -0.637512D+00 -0.354729D+00 -0.344758D+00  0.610284D+01
               131           132           133           134           135 
      1   0.569906D+01 -0.275987D+01 -0.196497D+00  0.330023D+01 -0.978730D+00
      2   0.687362D+00  0.715349D-01 -0.245426D+01 -0.401131D-02 -0.607524D+00
      3   0.532910D+00  0.279512D-02  0.951361D+00  0.509576D+00  0.216844D+00
               136           137           138           139           140 
      1  -0.115115D+02  0.521321D+00  0.214859D+01  0.309347D+01  0.133383D+02
      2   0.111185D+02  0.513741D+01  0.112737D+02  0.634679D+01  0.131043D+01
      3  -0.337821D+01  0.333716D+00  0.490971D+01  0.662177D+01  0.882316D+01
               141           142           143           144           145 
      1  -0.119126D+02  0.846327D+00 -0.401821D+01 -0.304485D+01 -0.278527D+01
      2   0.123583D+01  0.682780D+01  0.303166D+01 -0.391634D+01  0.121145D+02
      3  -0.408590D+01  0.429660D+01 -0.266506D+01 -0.356843D+01 -0.136220D+02
               146           147           148           149           150 
      1   0.959821D-01  0.274257D+01 -0.674770D+00 -0.377043D+01 -0.379887D+01
      2  -0.128005D+01 -0.578729D+01 -0.283704D+01  0.283001D+01  0.542730D+01
      3   0.344750D+01  0.407626D+01  0.125512D+02  0.223318D+02 -0.255880D+01
               151           152           153           154           155 
      1   0.433443D+01  0.624944D+00  0.805845D+01 -0.124222D+01  0.634049D+00
      2  -0.144892D+02  0.407543D+01 -0.166019D+02 -0.123710D+01  0.771763D+00
      3   0.517271D+01 -0.294725D+01 -0.789790D+01 -0.750153D+01 -0.195211D+01
               156           157           158           159           160 
      1   0.301371D+01  0.374531D+00 -0.150581D+01 -0.337494D+01  0.129289D+01
      2   0.381959D+01  0.336619D+00 -0.993252D+00 -0.228745D+01 -0.167425D+00
      3   0.271406D+00  0.441273D+01  0.843944D+00  0.648230D+00  0.560964D+00
               161           162           163           164           165 
      1  -0.252547D+00  0.382639D+00  0.369420D+01  0.421446D+01  0.408704D+01
      2  -0.772634D+00  0.163219D+00 -0.103658D+02 -0.173927D+01 -0.321822D+01
      3   0.121649D+01 -0.359980D+00 -0.336247D+01 -0.291520D+01 -0.224773D+01
               166           167           168           169           170 
      1   0.184604D+01  0.193890D+01  0.225904D+00  0.354822D+01  0.349994D+01
      2  -0.252995D+01 -0.959030D+00 -0.152804D+01 -0.736754D+01 -0.138882D+01
      3   0.587476D+00 -0.157919D+00 -0.426924D+00 -0.155913D+01 -0.183316D+01
               171           172           173           174           175 
      1   0.364106D+01 -0.154925D+01 -0.478260D+01  0.453249D+00 -0.237445D+01
      2  -0.276064D+01  0.950046D+01  0.354810D+01 -0.396048D+01  0.439126D+01
      3  -0.156943D+01  0.448671D+01  0.367491D+00 -0.243756D+01  0.405708D+01
               176           177           178           179           180 
      1  -0.370967D+01 -0.414976D+00  0.105017D+01  0.295281D+01 -0.535523D+00
      2   0.354419D+01 -0.401267D+01 -0.539134D+01 -0.315577D+01  0.382295D+01
      3   0.833404D+00 -0.206152D+01 -0.256286D+01 -0.278814D+00  0.215328D+01
               181           182           183           184           185 
      1   0.610067D+01  0.430053D+01  0.122033D+01  0.311531D+01  0.161058D+01
      2  -0.181686D+02 -0.425503D+01 -0.336549D+01 -0.587776D+01 -0.221433D+01
      3  -0.274899D+01 -0.144716D+01 -0.111963D+01  0.931840D+00 -0.210163D+00
               186           187           188           189           190 
      1   0.786888D+00  0.222125D+01  0.289190D+01  0.234259D+01 -0.242321D+00
      2  -0.436720D+00 -0.730805D+01 -0.102735D+01 -0.465397D+01 -0.749488D+00
      3   0.682233D-01 -0.767516D+00 -0.651975D+00 -0.637278D+00 -0.708650D+00
               191           192           193           194           195 
      1  -0.773380D+00 -0.639034D+00 -0.179820D+01 -0.158299D+02  0.528587D+00
      2   0.874936D+00 -0.196625D+00  0.313827D+01 -0.217477D+01  0.300582D+01
      3  -0.739821D+00 -0.479770D+00  0.323936D+01 -0.975826D+01  0.382498D+01
               196           197           198           199           200 
      1  -0.223017D-01  0.319057D+01 -0.158656D+01  0.543662D+01 -0.477724D+01
      2  -0.158051D+01  0.678254D+00 -0.564514D+00  0.605656D+01 -0.181601D+01
      3  -0.478924D+00  0.123316D+01 -0.994031D+00  0.432972D+01 -0.440984D+01
               201           202           203           204           205 
      1  -0.424423D+01 -0.277910D+01  0.239140D+01  0.286440D+01 -0.344061D+01
      2   0.606380D+00 -0.319391D+01 -0.704605D-01 -0.128541D+01 -0.506794D+01
      3  -0.352246D+01 -0.150441D+01  0.187879D+01  0.239372D+01 -0.255089D+01
               206           207           208           209           210 
      1   0.391751D+01  0.485581D+01 -0.190833D+01  0.123202D+00 -0.131441D+01
      2   0.150212D+00 -0.124530D+00  0.257484D+01  0.937868D+00  0.430598D+01
      3   0.233370D+01  0.319493D+01  0.225783D+01 -0.123488D+01  0.955393D+00
               211           212           213           214           215 
      1  -0.150821D+00 -0.813073D+00  0.103485D+01 -0.138510D+01  0.430170D+01
      2   0.163388D+01  0.216640D+01 -0.349310D+01  0.143646D+01 -0.269557D+01
      3  -0.507831D+00 -0.338396D-01 -0.200485D+01  0.883236D+00 -0.430437D+01
               216           217           218           219           220 
      1  -0.856495D+01  0.228930D+01 -0.633242D+00 -0.159812D+01 -0.510579D+00
      2   0.204826D+02 -0.914959D+01  0.131734D+01  0.904672D+01  0.285278D+01
      3   0.401841D+01  0.117367D+02 -0.674773D+01 -0.341523D+01 -0.546460D+01
               221           222           223           224           225 
      1   0.819447D+00 -0.265062D+00 -0.199464D+01  0.115359D+01  0.712656D+00
      2  -0.204272D+01 -0.405550D+01  0.590005D+01 -0.127500D+01 -0.552125D+01
      3   0.255020D+01  0.220564D+01 -0.501039D+01  0.444795D+01  0.360169D+01
               226           227           228           229           230 
      1   0.745071D+00  0.346273D+00 -0.777570D-01  0.452159D+00  0.369317D+01
      2  -0.118687D+01 -0.369648D+00  0.138258D+01 -0.209707D+00 -0.165935D+01
      3  -0.170133D+01 -0.174217D+01 -0.473307D+00 -0.210654D+01 -0.244477D+02
               231           232           233           234 
      1  -0.491313D+01 -0.426580D+00 -0.497086D-01  0.326550D+00
      2   0.400464D+01  0.933652D+00  0.150974D+01  0.223985D+00
      3   0.976775D+00 -0.983072D+00  0.184958D+01 -0.147631D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1  -0.164885D+02  0.406584D+01 -0.245332D+01  0.744028D+01 -0.276983D+02
      2   0.115771D+02 -0.127767D+01  0.278683D+01  0.944527D-01  0.328856D+02
      3   0.491141D+01 -0.278817D+01 -0.333507D+00 -0.753473D+01 -0.518727D+01
      4  -0.684275D+01  0.942766D+00 -0.117987D+02 -0.334842D+01  0.503041D+02
      5  -0.175362D+02 -0.757381D+01 -0.574745D+01 -0.121674D+02  0.415299D+01
      6  -0.544158D+01 -0.825492D+01 -0.541926D+01 -0.525174D+01  0.639219D+01
                 6             7             8             9            10 
      1  -0.128744D+02 -0.476973D+01 -0.143299D+02 -0.183795D+02  0.341405D+01
      2   0.973835D+01  0.259029D+01  0.180402D+01  0.235519D+01  0.868462D+00
      3   0.313600D+01  0.217943D+01  0.125259D+02  0.160243D+02 -0.428252D+01
      4   0.399687D+01 -0.200585D+02  0.188369D+01  0.109110D+02 -0.239763D+01
      5   0.531725D+01 -0.443266D+01  0.675410D+01  0.906796D+01  0.253593D+01
      6   0.724676D+01 -0.366433D+01  0.117228D+02  0.561299D+01  0.134668D+01
                11            12            13            14            15 
      1  -0.500705D+01 -0.998325D+01  0.113782D+01  0.407669D+02  0.278433D+01
      2  -0.400925D+01  0.100285D+02 -0.597420D+01 -0.598207D+02  0.645954D+01
      3   0.901630D+01 -0.452647D-01  0.483638D+01  0.190538D+02 -0.924387D+01
      4   0.341227D+01  0.410791D+01  0.865801D+01 -0.188050D+02  0.433691D+01
      5   0.135631D+01 -0.152726D+01  0.327366D+01  0.301566D+00  0.261934D+01
      6   0.156644D+02  0.124949D+02  0.664065D+01  0.512810D+01 -0.607495D+01
                16            17            18            19            20 
      1  -0.993500D+01 -0.651708D+00  0.207986D+02  0.165372D+02 -0.225046D+01
      2   0.577565D+01  0.224629D+02 -0.757717D+01 -0.131216D+02 -0.136239D+01
      3   0.415934D+01 -0.218112D+02 -0.132214D+02 -0.341559D+01  0.361285D+01
      4   0.442790D+01  0.824364D+01  0.405048D+01 -0.551965D+01  0.690755D+01
      5   0.368464D+00  0.554452D+01  0.644976D+01  0.180212D+01  0.833976D+01
      6   0.120979D+02 -0.202022D+02 -0.261646D+02 -0.236856D+01 -0.616340D+01
                21            22            23            24            25 
      1   0.458958D+01  0.574419D+00  0.119864D+02  0.114782D+02 -0.285741D+01
      2  -0.360169D+01 -0.196104D+01 -0.755901D+01 -0.171673D+01 -0.721460D+00
      3  -0.987886D+00  0.138662D+01 -0.442743D+01 -0.976148D+01  0.357887D+01
      4   0.594589D+01  0.195650D+01 -0.533085D+02 -0.148688D+02 -0.128632D+01
      5   0.485585D+01  0.492001D+01 -0.100612D+02 -0.104264D+02  0.140486D+02
      6   0.954149D-01 -0.955588D+00 -0.743965D+01 -0.117358D+01 -0.101535D+01
                26            27            28            29            30 
      1   0.983446D+01  0.111240D+02 -0.337988D+02 -0.132479D+01 -0.157779D+02
      2  -0.987557D+01 -0.125069D+02  0.257614D+02 -0.638705D+01  0.102680D+02
      3   0.411026D-01  0.138287D+01  0.803734D+01  0.771184D+01  0.550991D+01
      4  -0.167598D+02 -0.129520D+02 -0.228813D+01  0.123198D+01 -0.105482D+02
      5  -0.101576D+02 -0.134834D+02 -0.114201D+02 -0.144652D+02 -0.158742D+02
      6   0.479289D+01 -0.497811D+01  0.195892D+01  0.846874D+01  0.677671D+01
                31            32            33            34            35 
      1  -0.147992D+02  0.111137D+02 -0.168642D+02 -0.184994D+02 -0.206743D+02
      2   0.663959D+01 -0.238535D+02  0.163115D+02  0.724830D+01  0.249990D+02
      3   0.815958D+01  0.127397D+02  0.552663D+00  0.112511D+02 -0.432472D+01
      4  -0.417066D+01  0.377194D+02  0.195554D+01 -0.125913D+02  0.962932D+00
      5  -0.138852D+02 -0.425743D+01  0.997544D+01 -0.263128D+02  0.239801D+02
      6   0.241163D+01  0.120840D+02 -0.762371D+01  0.127437D+02 -0.169174D+02
                36            37            38            39            40 
      1  -0.134075D+02 -0.110588D+02 -0.363250D+01  0.103790D+01 -0.126121D+02
      2   0.101507D+02  0.828504D+01  0.336520D+01 -0.225868D+01  0.107006D+01
      3   0.325676D+01  0.277372D+01  0.267303D+00  0.122078D+01  0.115420D+02
      4   0.210631D+02  0.542452D+01  0.249700D+01  0.439446D+01  0.152008D+01
      5   0.299631D+02  0.386054D+01 -0.470604D+00  0.386716D+00 -0.803341D+00
      6  -0.168756D+02  0.616620D+01  0.449214D+00  0.318717D+01 -0.457417D-01
                41            42            43            44            45 
      1   0.204153D+02  0.416009D+01  0.902571D+01  0.116263D+02  0.780020D+00
      2  -0.126804D+02 -0.957413D+01 -0.261824D+01 -0.136001D+02  0.387802D+01
      3  -0.773491D+01  0.541404D+01 -0.640747D+01  0.197383D+01 -0.465804D+01
      4  -0.778878D+01 -0.137323D+01  0.838948D+01 -0.518422D-01  0.141095D+01
      5   0.121181D+01  0.472697D+01 -0.488252D+01  0.108426D+01 -0.926756D+00
      6  -0.130248D+02 -0.172738D+02 -0.465380D+00 -0.100467D+02  0.286527D+01
                46            47            48            49            50 
      1   0.203273D+01 -0.772435D+01 -0.132831D+02 -0.967747D+01 -0.449839D+01
      2  -0.771143D+01  0.189221D+01  0.998418D+01  0.802459D+01  0.447809D+01
      3   0.567871D+01  0.583214D+01  0.329887D+01  0.165288D+01  0.202966D-01
      4  -0.139253D+02  0.346865D+01 -0.859413D+01  0.574431D+01  0.179485D+02
      5  -0.162034D+02 -0.420525D+01  0.790804D+01  0.107771D+01 -0.588426D+01
      6  -0.909800D+01 -0.220996D+00  0.123812D+01 -0.892868D+00 -0.374482D+01
                51            52            53            54            55 
      1  -0.533456D+01 -0.190033D+02 -0.725377D+01  0.921689D+01 -0.102626D+02
      2  -0.219788D+01  0.103259D+02  0.327259D+01 -0.519728D+01 -0.436126D+01
      3   0.753244D+01  0.867741D+01  0.398118D+01 -0.401961D+01  0.146239D+02
      4  -0.755720D+01 -0.709435D+01 -0.862597D+01  0.220564D+01  0.220985D+02
      5  -0.391634D+01  0.105063D+02 -0.531200D+00  0.337915D+01  0.223720D+00
      6   0.776698D+01  0.515950D+01 -0.199237D-01  0.259927D+01  0.171670D+01
                56            57            58            59            60 
      1   0.792697D+01  0.341609D+01  0.405322D+01 -0.129116D+02  0.264097D+01
      2   0.502618D+01 -0.985424D+01  0.414138D+01  0.920046D+01 -0.544443D+00
      3  -0.129531D+02  0.643815D+01 -0.819461D+01  0.371119D+01 -0.209653D+01
      4  -0.236840D+02  0.152213D+01 -0.214003D+02  0.767476D+01  0.317869D+01
      5   0.174519D+01  0.436129D+00 -0.200054D+01  0.233158D+01  0.721011D+00
      6  -0.955458D+01 -0.554097D+01 -0.563333D+01  0.297104D+01 -0.264832D-01
                61            62            63            64            65 
      1   0.823566D+00  0.560557D+01  0.129219D+01  0.753314D+01  0.810772D+01
      2  -0.501690D+01 -0.735593D+01  0.786873D+01  0.677968D+01  0.119520D+01
      3   0.419334D+01  0.175035D+01 -0.916092D+01 -0.143128D+02 -0.930292D+01
      4   0.429643D+01  0.460288D+01 -0.712194D+01 -0.453010D+01 -0.563503D+00
      5   0.308166D+01 -0.192667D+01 -0.129585D+01 -0.329306D+01  0.387383D+01
      6  -0.479523D+01  0.596684D+01  0.667791D+01  0.696066D+01  0.143984D+02
                66            67            68            69            70 
      1  -0.320510D+01  0.119770D+02 -0.236243D+01 -0.180034D+01  0.152374D+01
      2   0.145460D+02  0.386208D+01 -0.237218D+01 -0.211682D+01  0.105993D+02
      3  -0.113409D+02 -0.158390D+02  0.473461D+01  0.391716D+01 -0.121231D+02
      4   0.318915D+01  0.248724D+01 -0.305767D+01  0.856284D+01 -0.228490D+01
      5  -0.185617D+02  0.159290D+01  0.569396D+01 -0.138847D+02 -0.135505D+02
      6  -0.107435D+02  0.127911D+02 -0.460449D+01  0.476566D+01 -0.477145D+01
                71            72            73            74            75 
      1  -0.674599D+01 -0.426758D+01  0.350997D+02  0.949740D+01  0.102587D+02
      2   0.481664D+01 -0.841340D+00 -0.195260D+02 -0.422237D+01 -0.928337D+01
      3   0.192934D+01  0.510892D+01 -0.155737D+02 -0.527503D+01 -0.975322D+00
      4   0.537041D+01 -0.483483D+00  0.270792D+02  0.153663D+02  0.116776D+02
      5  -0.608237D+01 -0.498961D+01  0.235200D+02  0.908793D+01  0.171858D+02
      6  -0.412726D+00  0.189240D+01  0.781222D+01  0.526626D+01  0.590433D+01
                76            77            78            79            80 
      1   0.464289D+01  0.366973D+00 -0.563945D+00  0.119693D+02  0.317670D+01
      2  -0.741486D+00  0.268418D+01  0.336328D+00 -0.833043D+01  0.884240D+00
      3  -0.390141D+01 -0.305116D+01  0.227617D+00 -0.363886D+01 -0.406094D+01
      4   0.132631D+02  0.123041D+02  0.861223D+01  0.136949D+02  0.129225D+02
      5   0.630217D+01  0.769384D+01  0.666093D+01  0.149880D+02  0.535534D+01
      6   0.489124D+01  0.662700D+01  0.572289D+01  0.600080D+01  0.495559D+01
                81            82            83            84            85 
      1   0.519142D+01 -0.121706D+01 -0.493244D+01  0.370454D+00 -0.199562D+01
      2  -0.548942D+01  0.671231D+01  0.124110D+02 -0.525975D+00  0.728560D+01
      3   0.297996D+00 -0.549525D+01 -0.747856D+01  0.155521D+00 -0.528998D+01
      4   0.794892D+01  0.584272D+01  0.141517D+02 -0.137918D+01  0.828644D+01
      5   0.107985D+02 -0.317838D+00  0.486219D+00  0.234174D+01 -0.233483D-01
      6   0.509212D+01 -0.141385D+01 -0.108913D+01 -0.126058D+00 -0.432751D+00
                86            87            88            89            90 
      1  -0.457467D+02  0.222001D+01  0.142109D+01  0.122481D+02 -0.765920D+01
      2   0.820273D+02 -0.604007D+01 -0.215024D+01 -0.243199D+02  0.808329D+01
      3  -0.362805D+02  0.382006D+01  0.729153D+00  0.120718D+02 -0.424092D+00
      4   0.199531D+02 -0.195204D+01 -0.330409D+01 -0.592450D+01  0.206625D+01
      5   0.101244D+00  0.677364D+00  0.162543D+01  0.894015D+00 -0.157295D+01
      6  -0.509018D+01  0.873541D+01 -0.597610D+00  0.142994D+02 -0.237662D+01
                91            92            93            94            95 
      1  -0.208945D+01  0.355912D+01  0.528043D+01  0.153656D+01 -0.143933D+02
      2  -0.145596D+01 -0.201391D+01 -0.225112D+01 -0.149024D+01  0.156771D+02
      3   0.354541D+01 -0.154521D+01 -0.302931D+01 -0.463196D-01 -0.128383D+01
      4  -0.338787D+01  0.516948D+01  0.482153D+01  0.137512D+01  0.104832D+01
      5  -0.310453D+01  0.339386D+01  0.683331D+01  0.829264D+00 -0.921134D+00
      6   0.582238D+01 -0.686402D+01 -0.831181D+01 -0.337991D+01  0.108389D+02
                96            97            98            99           100 
      1  -0.821432D+01  0.700391D+01 -0.178981D+02 -0.271918D+02  0.679520D+02
      2   0.585874D+01 -0.147934D+01  0.793200D+01  0.185500D+01 -0.375909D+02
      3   0.235558D+01 -0.552457D+01  0.996615D+01  0.253368D+02 -0.303611D+02
      4  -0.130553D+01  0.381156D+01 -0.181659D+01 -0.191425D+01 -0.103905D+02
      5  -0.119537D+01  0.575694D+01 -0.278018D+01 -0.405696D+01  0.163119D+02
      6   0.129850D+02 -0.744833D+01  0.268343D+02  0.381781D+02 -0.531140D+01
               101           102           103           104           105 
      1   0.208632D+01  0.151745D+02  0.208193D+02  0.368607D+01  0.469900D+01
      2  -0.315322D+01 -0.940335D+01 -0.122654D+02 -0.103559D+01 -0.416195D+01
      3   0.106690D+01 -0.577115D+01 -0.855385D+01 -0.265048D+01 -0.537048D+00
      4   0.912963D+01 -0.200425D+01  0.463115D+01  0.365511D+01  0.256976D+01
      5   0.263659D+00  0.147307D+02  0.490135D+01  0.305634D+01  0.412065D+01
      6  -0.136804D+00 -0.494458D+01 -0.587591D+00 -0.813835D+00  0.713694D+00
               106           107           108           109           110 
      1   0.260154D+02  0.676428D+00  0.111774D+02  0.147353D+02 -0.488123D+01
      2  -0.160885D+02 -0.310034D+01 -0.956080D+01 -0.101659D+02  0.304216D+01
      3  -0.992690D+01  0.242391D+01 -0.161660D+01 -0.456938D+01  0.183907D+01
      4  -0.521017D+01  0.544209D+01 -0.271916D+01 -0.894645D+01  0.619560D+01
      5   0.173706D+02 -0.913982D+00  0.997951D+01 -0.117223D+02  0.735303D+01
      6  -0.424430D+01  0.253613D+01 -0.185241D+01  0.485499D+01 -0.361269D+01
               111           112           113           114           115 
      1  -0.727415D+01 -0.207572D+01 -0.516730D+00  0.171171D+01 -0.161821D+02
      2   0.510483D+01 -0.382960D+00  0.505786D+01 -0.147278D+00  0.122139D+02
      3   0.216932D+01  0.245868D+01 -0.454113D+01 -0.156443D+01  0.396813D+01
      4   0.802858D+01  0.110494D+02 -0.167361D+02 -0.926725D+01  0.200711D+02
      5   0.149294D+02  0.648146D+01 -0.826079D+01 -0.975864D+01  0.266853D+02
      6  -0.555378D+01 -0.419405D+01  0.500616D+01  0.987676D+01 -0.118066D+02
               116           117           118           119           120 
      1   0.630676D+01  0.413731D+01 -0.631534D+00 -0.881067D+01  0.388859D+01
      2  -0.460190D+01 -0.135464D+02  0.116897D+01  0.109128D+02 -0.242217D+01
      3  -0.170487D+01  0.940911D+01 -0.537436D+00 -0.210216D+01 -0.146643D+01
      4  -0.200047D+02 -0.201544D+02  0.204195D+00 -0.252711D+01  0.201653D+00
      5  -0.220756D+02 -0.443879D+02  0.174078D+01  0.182026D+01  0.135279D+01
      6   0.165729D+02  0.241398D+02 -0.159756D+01 -0.318896D+01  0.125746D+01
               121           122           123           124           125 
      1  -0.813174D+01 -0.203822D+02  0.731401D+01  0.552286D+01  0.100028D+02
      2   0.541319D+00  0.430205D+02 -0.944648D+01 -0.110000D+01 -0.155953D+02
      3   0.759043D+01 -0.226383D+02  0.213247D+01 -0.442286D+01  0.559247D+01
      4   0.150817D+02 -0.436894D+02  0.691530D+01 -0.367259D+01  0.133608D+02
      5   0.278076D+00  0.100104D+02 -0.892620D+01  0.653905D+01 -0.121429D+02
      6   0.221711D+01 -0.152634D+02  0.100457D+02 -0.342299D+01  0.142298D+02
               126           127           128           129           130 
      1  -0.326461D+01  0.518043D+00 -0.100015D+01 -0.301637D+00  0.371147D+00
      2   0.366006D+01  0.189188D+01  0.687849D+00  0.460941D+00 -0.141026D+01
      3  -0.395444D+00 -0.240992D+01  0.312302D+00 -0.159304D+00  0.103911D+01
      4  -0.952115D+01 -0.647657D+00  0.773713D+01  0.211926D+01  0.738662D+01
      5   0.194870D+01 -0.993227D+00  0.341473D+01  0.373583D+01  0.350992D+01
      6  -0.525838D+01  0.367515D+01 -0.158899D+00  0.912727D+00 -0.303143D+01
               131           132           133           134           135 
      1  -0.219075D+02 -0.105203D+02  0.282165D+00 -0.868995D+01 -0.998776D+01
      2   0.266392D+02  0.772526D+01  0.486308D+00  0.640261D+01  0.171653D+01
      3  -0.473171D+01  0.279508D+01 -0.768473D+00  0.228734D+01  0.827123D+01
      4  -0.145982D+01 -0.130591D+01  0.204955D+01 -0.126626D+01  0.286131D+00
      5  -0.205030D+01 -0.100768D+01  0.310477D+01 -0.839494D+00 -0.203730D+01
      6   0.246908D+02  0.164745D+02 -0.941636D+00  0.149168D+02  0.110290D+02
               136           137           138           139           140 
      1   0.602790D+01  0.605662D+01  0.111161D+02  0.899138D+01  0.125433D+02
      2   0.148434D+02 -0.501866D+01 -0.100263D+02 -0.976853D+01 -0.177369D+02
      3  -0.208713D+02 -0.103796D+01 -0.108981D+01  0.777150D+00  0.519365D+01
      4   0.913625D+01  0.298093D+01  0.232167D+01  0.384881D+00 -0.147674D+02
      5   0.128468D+02 -0.749051D+01 -0.201620D+02 -0.111070D+02  0.595881D+01
      6  -0.538301D+01  0.264183D+01  0.391200D+01  0.505421D+01  0.261935D+02
               141           142           143           144           145 
      1  -0.187200D+01  0.955259D+01  0.150326D+01 -0.135751D+02 -0.174956D+02
      2   0.157663D+02 -0.872329D+01  0.903199D+01  0.189169D+01  0.137636D+02
      3  -0.138943D+02 -0.829296D+00 -0.105353D+02  0.116834D+02  0.373205D+01
      4   0.670597D+01  0.379136D+01  0.466997D+01  0.152948D+01  0.198340D+02
      5   0.807598D+01 -0.197946D+02  0.437145D+01  0.419878D+01  0.237802D+02
      6  -0.884151D+01  0.124995D+01 -0.341531D+01 -0.110789D+02  0.684262D+01
               146           147           148           149           150 
      1   0.166259D+02  0.228585D+02  0.270470D+02  0.113201D+02 -0.293292D+01
      2  -0.101450D+02 -0.104535D+02 -0.202923D+02 -0.263956D+02  0.353321D+01
      3  -0.648092D+01 -0.124050D+02 -0.675474D+01  0.150755D+02 -0.600290D+00
      4   0.170970D+01  0.363398D+01 -0.470329D+01 -0.329970D+02  0.635406D+01
      5   0.122911D+01 -0.943198D+01 -0.143140D+01  0.576197D+01  0.913440D+01
      6   0.505807D+00 -0.197975D+01  0.341264D+00 -0.104239D+01  0.268387D+01
               151           152           153           154           155 
      1   0.275297D+02 -0.240921D+01 -0.126192D+02  0.221625D+02 -0.822187D+01
      2  -0.112721D+02  0.320433D+01  0.141009D+02 -0.433734D+00 -0.798872D+01
      3  -0.162576D+02 -0.795129D+00 -0.148175D+01 -0.217288D+02  0.162106D+02
      4   0.205303D+01  0.652369D+01  0.552938D+01 -0.332066D+02  0.286082D+02
      5  -0.145915D+02  0.702326D+01 -0.231879D+02  0.270502D+01 -0.242451D+01
      6  -0.368826D+01  0.373910D+01 -0.741600D+01 -0.318008D+01  0.334100D+01
               156           157           158           159           160 
      1  -0.634168D+00 -0.397113D+01 -0.769589D+00  0.121372D+00 -0.684688D+00
      2   0.864698D+00 -0.890465D+01  0.171365D+02  0.822328D+00  0.714265D+00
      3  -0.230531D+00  0.128758D+02 -0.163669D+02 -0.943699D+00 -0.295769D-01
      4  -0.946480D+00  0.230526D+02 -0.249181D+02  0.187483D+00 -0.198689D+00
      5   0.606875D+01 -0.180571D+01  0.130723D+01 -0.231774D+01  0.590472D+01
      6  -0.349854D+01  0.258640D+01 -0.312923D+01  0.519327D+01 -0.387179D+01
               161           162           163           164           165 
      1   0.105485D+00  0.135722D-01  0.266188D+01  0.145614D+01 -0.509408D+01
      2   0.139407D+01  0.307563D+00 -0.130525D+02 -0.188543D+01 -0.147828D+02
      3  -0.149956D+01 -0.321136D+00  0.103906D+02  0.429283D+00  0.198769D+02
      4  -0.475518D+00 -0.481050D+01 -0.119770D+01  0.386203D+01 -0.244383D+01
      5  -0.399150D+01  0.161301D+00  0.181977D+02  0.336953D+00  0.195841D+02
      6   0.613372D+01 -0.222343D+01 -0.360479D+01  0.287574D+01 -0.440565D+01
               166           167           168           169           170 
      1  -0.129121D+01 -0.725292D+00 -0.172988D+01 -0.248610D+01  0.737050D+00
      2  -0.213286D+01 -0.209094D+01 -0.314369D+01 -0.118355D+02 -0.124951D+01
      3   0.342407D+01  0.281624D+01  0.487357D+01  0.143216D+02  0.512463D+00
      4   0.285543D+01  0.463761D+00  0.139001D+01 -0.145829D+01  0.206084D+01
      5   0.161431D+01  0.311554D+01  0.296624D+01  0.167864D+02  0.149685D+01
      6   0.196941D+01  0.108584D+01  0.516590D+01 -0.194450D+01  0.535004D+01
               171           172           173           174           175 
      1  -0.134074D+02 -0.252138D+01 -0.632568D+01  0.922381D+01 -0.455751D+01
      2  -0.205027D+02 -0.344951D+01  0.144476D+01  0.366539D+01  0.453843D+00
      3   0.339101D+02  0.597089D+01  0.488092D+01 -0.128892D+02  0.410367D+01
      4  -0.181003D+01  0.614357D+01  0.548802D+01 -0.570907D+01  0.495980D+01
      5   0.213093D+02 -0.130209D+02 -0.658372D+01  0.141015D+02 -0.611906D+01
      6  -0.601046D+01 -0.914368D+01 -0.117912D+02  0.132245D+02 -0.832693D+01
               176           177           178           179           180 
      1  -0.908492D+01  0.947486D+01  0.402503D+01  0.691170D+01 -0.121686D+02
      2   0.692542D+01 -0.268382D-02  0.175230D+01 -0.919128D-02 -0.667318D+01
      3   0.215950D+01 -0.947218D+01 -0.577733D+01 -0.690251D+01  0.188418D+02
      4   0.399870D+01 -0.383731D+01 -0.252470D+01 -0.291113D+01  0.299429D+01
      5  -0.567171D+01  0.661419D+01  0.971392D+01  0.448287D+01 -0.849789D+01
      6  -0.129868D+02  0.139747D+02  0.642893D+01  0.101056D+02 -0.143386D+02
               181           182           183           184           185 
      1  -0.431957D+01 -0.223365D+00 -0.118237D+02 -0.229771D+01 -0.306393D+01
      2  -0.463935D+01 -0.532745D+00 -0.576839D+01  0.110009D+01  0.218566D+01
      3   0.895892D+01  0.756110D+00  0.175921D+02  0.119761D+01  0.878278D+00
      4  -0.766964D+01 -0.892736D+00 -0.260669D+01 -0.594222D+00  0.329522D+00
      5   0.116872D+02  0.228538D+01  0.624179D+01  0.435835D+01  0.671468D+00
      6   0.203022D+01  0.492954D+01 -0.310279D+01  0.220217D+01 -0.199125D+00
               186           187           188           189           190 
      1  -0.330329D+01 -0.633191D+01 -0.157753D+01 -0.765076D+01 -0.631513D+00
      2  -0.405280D+01 -0.346220D+01 -0.176700D+01 -0.679453D+01  0.439199D+00
      3   0.735608D+01  0.979411D+01  0.334453D+01  0.144453D+02  0.192314D+00
      4  -0.873171D+00 -0.277800D+01  0.146812D+00 -0.240307D+01  0.224730D+01
      5  -0.104918D+01  0.932026D+01  0.638823D+00  0.513882D+01 -0.307755D+01
      6   0.260324D+01 -0.314464D-01  0.367097D+01  0.933637D+00 -0.272708D+01
               191           192           193           194           195 
      1   0.146216D+01 -0.123489D+01  0.642494D+00 -0.210541D+02  0.119068D+02
      2  -0.770219D-01  0.160779D+01  0.168550D+01  0.298882D+02 -0.591875D+01
      3  -0.138514D+01 -0.372896D+00 -0.232799D+01 -0.883406D+01 -0.598803D+01
      4   0.640976D+01 -0.223740D+01  0.908468D+01  0.178526D+02 -0.664057D+01
      5  -0.285785D+01  0.532621D+01 -0.519098D+01 -0.630839D+01  0.582018D+01
      6  -0.189000D+01  0.622930D+00 -0.444540D+01 -0.349629D+02  0.200199D+02
               196           197           198           199           200 
      1  -0.527245D+00  0.474227D+01 -0.478346D+01  0.145574D+02 -0.274658D+01
      2   0.141406D+01 -0.795235D+00  0.713085D+00 -0.198756D+02  0.356767D+01
      3  -0.886815D+00 -0.394703D+01  0.407038D+01  0.531816D+01 -0.821085D+00
      4  -0.832333D+00 -0.211877D+01  0.249858D+01 -0.894781D+00  0.532553D+01
      5   0.383824D+01  0.195002D+01 -0.296932D+01 -0.280748D+02  0.443995D+01
      6   0.931424D+00  0.106089D+02 -0.657517D+01  0.320839D+01 -0.646258D+01
               201           202           203           204           205 
      1  -0.311215D+01 -0.500127D+01 -0.204845D+00 -0.244785D+00 -0.279629D+01
      2   0.169341D+02  0.703356D+01 -0.782741D+00 -0.852118D+01  0.121447D+02
      3  -0.138220D+02 -0.203229D+01  0.987586D+00  0.876597D+01 -0.934844D+01
      4   0.566306D-01  0.438796D+01 -0.257564D+01 -0.420599D+01 -0.805935D+00
      5   0.265493D+02  0.110914D+02 -0.631530D+01 -0.108613D+02  0.195825D+02
      6  -0.977626D+00 -0.522389D+01  0.202496D+01  0.637840D+01 -0.174186D+01
               206           207           208           209           210 
      1   0.137592D+00 -0.266065D+01  0.791227D+01 -0.225047D+01  0.467043D+01
      2  -0.383550D+01 -0.164028D+02 -0.733925D+01  0.135527D+01 -0.555223D+01
      3   0.369791D+01  0.190635D+02 -0.573028D+00  0.895201D+00  0.881803D+00
      4  -0.291824D+01 -0.106161D+01 -0.884024D+00  0.147177D+01  0.859804D+00
      5  -0.391057D+01 -0.217286D+02  0.702953D+01 -0.620712D+00  0.130943D+02
      6   0.577315D+01  0.181809D+01  0.725904D+00  0.401579D+00  0.211815D+01
               211           212           213           214           215 
      1  -0.689257D+01 -0.126952D+01 -0.622088D+00  0.123133D+02  0.911548D+00
      2   0.445842D+01  0.168841D+01  0.166047D+01 -0.995696D+01  0.174452D+01
      3   0.243415D+01 -0.418895D+00 -0.103838D+01 -0.235634D+01 -0.265607D+01
      4   0.226487D+01  0.133733D+01  0.359345D+01  0.463892D+01  0.745234D+01
      5  -0.192693D+01  0.296541D+01 -0.448304D+01  0.194716D+02 -0.679533D+00
      6   0.617527D+00 -0.212119D+00  0.264417D+01  0.472008D+01  0.433111D+01
               216           217           218           219           220 
      1   0.349103D+01  0.616501D+02 -0.673110D+01 -0.149254D+02 -0.226309D+02
      2  -0.165481D+02 -0.332026D+02  0.497872D+01  0.844911D+01  0.129862D+02
      3   0.130571D+02 -0.284475D+02  0.175238D+01  0.647626D+01  0.964474D+01
      4   0.206363D+00 -0.175610D+00  0.907818D+01  0.589537D+00  0.948920D+01
      5   0.368523D+02 -0.151112D+02  0.163263D+01  0.133777D+02  0.490088D+01
      6   0.107471D+02 -0.330641D+01  0.339100D+00  0.312955D+01 -0.332135D-01
               221           222           223           224           225 
      1   0.518575D+01  0.410166D+01 -0.287400D+02  0.174617D+01  0.109311D+02
      2  -0.198885D+00 -0.282197D+01  0.159997D+02 -0.225390D+01 -0.927127D+01
      3  -0.498687D+01 -0.127969D+01  0.127403D+02  0.507736D+00 -0.165980D+01
      4  -0.256923D+01 -0.367443D+01 -0.761066D+00 -0.669393D+01 -0.152925D+01
      5  -0.346793D+01 -0.634771D+01  0.162465D+02 -0.217896D+01 -0.104675D+02
      6   0.565650D+00  0.554939D+00  0.250882D+01  0.791289D+00 -0.101916D+01
               226           227           228           229           230 
      1   0.542960D+01  0.460491D+01 -0.214337D+01  0.700744D+01 -0.122145D+02
      2  -0.200065D-01 -0.149885D+01  0.116391D+01  0.533364D+01  0.378709D+02
      3  -0.540960D+01 -0.310606D+01  0.979461D+00 -0.123411D+02 -0.256564D+02
      4   0.443395D+01  0.865236D+01 -0.546070D+00  0.220795D+02  0.476231D+02
      5  -0.188731D+01  0.289120D+00  0.200045D+01  0.132947D+01 -0.113565D+01
      6  -0.545033D+00  0.106460D+00 -0.269699D+00  0.119091D+01  0.356124D+01
               231           232           233           234 
      1   0.116014D+01 -0.451458D+01  0.854401D+00 -0.287626D+00
      2  -0.159747D+01  0.117087D+01 -0.269344D+01  0.117385D+01
      3   0.437332D+00  0.334371D+01  0.183904D+01 -0.886222D+00
      4  -0.101855D+01 -0.236301D+01 -0.407528D+01  0.378019D+01
      5   0.674440D+01  0.440702D+01  0.417457D+01  0.833766D+00
      6   0.719816D+01  0.214975D+01  0.581228D+01 -0.762399D+00
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Fri Jul 16 21:25:38 2021, MaxMem=  5637144576 cpu:           57971.6 elap:            7307.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -10.02977 -10.02010 -10.01922 -10.01896 -10.01435
 Alpha  occ. eigenvalues --  -10.01056 -10.00904 -10.00465 -10.00357  -9.99688
 Alpha  occ. eigenvalues --   -0.96015  -0.86408  -0.82831  -0.81093  -0.75877
 Alpha  occ. eigenvalues --   -0.74874  -0.69144  -0.67613  -0.63036  -0.57881
 Alpha  occ. eigenvalues --   -0.55543  -0.53559  -0.52592  -0.51144  -0.50030
 Alpha  occ. eigenvalues --   -0.48655  -0.48282  -0.47094  -0.46049  -0.44559
 Alpha  occ. eigenvalues --   -0.44280  -0.43050  -0.42496  -0.40295  -0.37117
 Alpha  occ. eigenvalues --   -0.36990  -0.35242  -0.30654
 Alpha virt. eigenvalues --    0.03035   0.03723   0.03864   0.04065   0.05297
 Alpha virt. eigenvalues --    0.05495   0.05746   0.05964   0.06048   0.07559
 Alpha virt. eigenvalues --    0.07848   0.08110   0.08267   0.08446   0.08896
 Alpha virt. eigenvalues --    0.09970   0.10360   0.11972   0.12293   0.12794
 Alpha virt. eigenvalues --    0.12986   0.13268   0.13726   0.14117   0.14623
 Alpha virt. eigenvalues --    0.14763   0.15259   0.15405   0.15782   0.15894
 Alpha virt. eigenvalues --    0.16330   0.16630   0.17028   0.17208   0.17549
 Alpha virt. eigenvalues --    0.18087   0.18932   0.19075   0.19283   0.19835
 Alpha virt. eigenvalues --    0.20841   0.21153   0.21601   0.22141   0.22371
 Alpha virt. eigenvalues --    0.23012   0.23176   0.23672   0.23966   0.24498
 Alpha virt. eigenvalues --    0.24857   0.25532   0.25831   0.26346   0.26842
 Alpha virt. eigenvalues --    0.27307   0.27800   0.28496   0.28928   0.29789
 Alpha virt. eigenvalues --    0.30323   0.30703   0.31433   0.31733   0.31959
 Alpha virt. eigenvalues --    0.32591   0.33513   0.34734   0.34943   0.35300
 Alpha virt. eigenvalues --    0.36042   0.36718   0.37320   0.37795   0.37931
 Alpha virt. eigenvalues --    0.38193   0.39121   0.39343   0.40322   0.40988
 Alpha virt. eigenvalues --    0.41379   0.41766   0.42765   0.42988   0.43476
 Alpha virt. eigenvalues --    0.44431   0.44550   0.44842   0.45210   0.45465
 Alpha virt. eigenvalues --    0.46186   0.46643   0.47385   0.47743   0.48009
 Alpha virt. eigenvalues --    0.48378   0.49451   0.50040   0.50463   0.51055
 Alpha virt. eigenvalues --    0.52231   0.52684   0.53267   0.53987   0.54449
 Alpha virt. eigenvalues --    0.55075   0.56764   0.57056   0.57429   0.57856
 Alpha virt. eigenvalues --    0.58313   0.58595   0.58888   0.59471   0.60649
 Alpha virt. eigenvalues --    0.61435   0.62228   0.62402   0.63004   0.63249
 Alpha virt. eigenvalues --    0.63765   0.64343   0.64768   0.64937   0.65176
 Alpha virt. eigenvalues --    0.65463   0.65922   0.67213   0.67814   0.68393
 Alpha virt. eigenvalues --    0.69022   0.69199   0.70050   0.70249   0.70351
 Alpha virt. eigenvalues --    0.71835   0.71985   0.72792   0.73148   0.73715
 Alpha virt. eigenvalues --    0.74278   0.74612   0.74782   0.74902   0.75710
 Alpha virt. eigenvalues --    0.77084   0.77261   0.78188   0.79168   0.79315
 Alpha virt. eigenvalues --    0.79972   0.80559   0.80820   0.81782   0.82271
 Alpha virt. eigenvalues --    0.83406   0.83932   0.84538   0.84837   0.85924
 Alpha virt. eigenvalues --    0.86007   0.86565   0.88168   0.88536   0.89304
 Alpha virt. eigenvalues --    0.90263   0.91020   0.91851   0.92803   0.94097
 Alpha virt. eigenvalues --    0.94663   0.94763   0.95737   0.97319   0.99085
 Alpha virt. eigenvalues --    0.99351   1.00726   1.02655   1.03997   1.04958
 Alpha virt. eigenvalues --    1.05686   1.06458   1.06564   1.08219   1.09123
 Alpha virt. eigenvalues --    1.10438   1.11926   1.12742   1.14208   1.15016
 Alpha virt. eigenvalues --    1.15480   1.17462   1.18752   1.19419   1.21013
 Alpha virt. eigenvalues --    1.22924   1.23763   1.26035   1.26532   1.26625
 Alpha virt. eigenvalues --    1.31112   1.31409   1.33996   1.35494   1.37510
 Alpha virt. eigenvalues --    1.38506   1.40032   1.42309   1.42443   1.43480
 Alpha virt. eigenvalues --    1.45558   1.46726   1.47890   1.49613   1.50666
 Alpha virt. eigenvalues --    1.53338   1.53405   1.54759   1.54965   1.57038
 Alpha virt. eigenvalues --    1.57854   1.59526   1.60523   1.61346   1.63110
 Alpha virt. eigenvalues --    1.64187   1.65582   1.67331   1.67878   1.69178
 Alpha virt. eigenvalues --    1.69576   1.72286   1.72906   1.73632   1.74484
 Alpha virt. eigenvalues --    1.74914   1.75633   1.76895   1.78278   1.80324
 Alpha virt. eigenvalues --    1.80381   1.81051   1.82692   1.84035   1.85137
 Alpha virt. eigenvalues --    1.87240   1.88258   1.89008   1.89870   1.90773
 Alpha virt. eigenvalues --    1.90858   1.92789   1.94027   1.95421   1.96522
 Alpha virt. eigenvalues --    1.99230   2.00029   2.00373   2.02966   2.03602
 Alpha virt. eigenvalues --    2.04160   2.06581   2.06770   2.08344   2.09672
 Alpha virt. eigenvalues --    2.10320   2.11288   2.12227   2.13506   2.15011
 Alpha virt. eigenvalues --    2.16299   2.17353   2.20067   2.20126   2.21981
 Alpha virt. eigenvalues --    2.22322   2.23116   2.24996   2.25488   2.26473
 Alpha virt. eigenvalues --    2.27666   2.28497   2.28999   2.30279   2.32964
 Alpha virt. eigenvalues --    2.33501   2.34725   2.36872   2.37043   2.38676
 Alpha virt. eigenvalues --    2.42137   2.42637   2.43240   2.45665   2.46933
 Alpha virt. eigenvalues --    2.47661   2.48731   2.50343   2.50683   2.51737
 Alpha virt. eigenvalues --    2.53817   2.55763   2.56456   2.58288   2.58634
 Alpha virt. eigenvalues --    2.59909   2.60886   2.63737   2.66366   2.68580
 Alpha virt. eigenvalues --    2.68949   2.70658   2.71982   2.74671   2.77020
 Alpha virt. eigenvalues --    2.77656   2.80886   2.81533   2.84251   2.85569
 Alpha virt. eigenvalues --    2.88187   2.90981   2.95245   2.97186   2.98354
 Alpha virt. eigenvalues --    3.02446   3.03733   3.15628   3.18050   3.22734
 Alpha virt. eigenvalues --    3.42391   3.44840   3.91933   4.14501   4.43740
 Alpha virt. eigenvalues --    4.70331
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C   19.010301  -1.109592  -8.493806  -1.689050   1.533007  -2.159232
     2  C   -1.109592   7.755077   0.206419   0.258476  -1.748878   0.801575
     3  C   -8.493806   0.206419  17.325031  -0.381347  -6.048390   2.368344
     4  C   -1.689050   0.258476  -0.381347   7.324893   0.093156  -0.199395
     5  C    1.533007  -1.748878  -6.048390   0.093156  21.616198  -6.200966
     6  C   -2.159232   0.801575   2.368344  -0.199395  -6.200966  15.919735
     7  C    1.920976  -1.397593  -2.757300   0.367887   4.368982  -5.158581
     8  C   -1.594515   0.404076   1.797710  -0.444599  -5.147648   3.110099
     9  H   -2.085381   0.107089   0.711998   0.188356  -0.005666   0.113998
    10  H   -0.025228  -0.215375   0.205315   0.019641  -0.194625   0.277967
    11  H    0.306631  -0.231976   0.031026  -0.028264   0.057467  -0.169202
    12  H    0.146896  -0.044813   0.248374  -0.322214  -0.025120  -0.033385
    13  H   -0.087361   0.017711   0.045384   0.356034  -0.236595   0.161984
    14  H   -0.247376   0.031379   0.177534   0.413528   0.011680  -0.053109
    15  H   -0.105074   0.196989   0.820521  -0.336177  -3.594686   0.694264
    16  C    0.020245  -0.311793  -0.485505   0.163867   1.290414  -2.457899
    17  C    0.093729  -0.036513  -0.094439  -0.068740  -0.261360  -0.671168
    18  H    0.022712   0.432609   0.038267  -0.022287  -0.340314   0.376165
    19  H   -0.376645   0.038219   0.472506   0.070771  -0.011710  -0.064095
    20  H    0.205702   0.201756   0.026986  -0.183044  -0.838559   0.419990
    21  H    0.237705  -0.002407  -0.129852  -0.166886  -0.432177   0.656937
    22  H    0.025547  -0.024765   0.195797  -0.009928  -0.223452   0.136458
    23  H   -0.015175   0.036366   0.010927   0.044382   0.204559  -0.043456
    24  H    0.010981  -0.008046   0.003869   0.035678   0.003293   0.853825
    25  H   -0.021321   0.064127  -0.020848  -0.006665   0.058619  -0.000548
    26  H    0.010671  -0.038539   0.079317  -0.024568  -0.223322  -0.065608
               7          8          9         10         11         12
     1  C    1.920976  -1.594515  -2.085381  -0.025228   0.306631   0.146896
     2  C   -1.397593   0.404076   0.107089  -0.215375  -0.231976  -0.044813
     3  C   -2.757300   1.797710   0.711998   0.205315   0.031026   0.248374
     4  C    0.367887  -0.444599   0.188356   0.019641  -0.028264  -0.322214
     5  C    4.368982  -5.147648  -0.005666  -0.194625   0.057467  -0.025120
     6  C   -5.158581   3.110099   0.113998   0.277967  -0.169202  -0.033385
     7  C   15.421978  -4.576338  -0.285259  -0.154048   0.107692   0.025036
     8  C   -4.576338  10.368014   0.171256   0.086530   0.002025  -0.034248
     9  H   -0.285259   0.171256   3.127812  -0.081682  -0.051873  -0.081334
    10  H   -0.154048   0.086530  -0.081682   2.006048  -0.574919   0.001123
    11  H    0.107692   0.002025  -0.051873  -0.574919   1.961399  -0.004236
    12  H    0.025036  -0.034248  -0.081334   0.001123  -0.004236   1.690676
    13  H   -0.062347   0.093125   0.018054   0.000305  -0.000474  -0.162280
    14  H    0.002024   0.011845   0.014056   0.002430   0.000279  -0.201420
    15  H   -0.430411   1.076460  -0.024996  -0.005748   0.011977   0.020405
    16  C    1.307668  -1.009281   0.072264   0.000862  -0.083339   0.024603
    17  C   -0.803728   0.383756  -0.003435   0.013266  -0.002762   0.002580
    18  H   -2.574065   0.853895   0.001934  -0.075191  -0.054069   0.000167
    19  H    0.254667  -0.857532   0.003847   0.044411  -0.014519   0.001021
    20  H   -0.973296   0.612967  -0.009879  -0.050390   0.038963  -0.003904
    21  H   -0.304503   0.198495  -0.033714   0.014616  -0.015970   0.020134
    22  H    0.024568   0.037978   0.005927  -0.006647   0.013570  -0.003022
    23  H   -0.015216  -0.108271   0.001692   0.012384  -0.032813   0.002584
    24  H    0.063848  -0.279656  -0.002158  -0.000560   0.002582   0.000500
    25  H   -0.081940   0.028582   0.000712  -0.005146   0.023111   0.000201
    26  H   -0.051711   0.086069   0.000653   0.004395  -0.011585  -0.000829
              13         14         15         16         17         18
     1  C   -0.087361  -0.247376  -0.105074   0.020245   0.093729   0.022712
     2  C    0.017711   0.031379   0.196989  -0.311793  -0.036513   0.432609
     3  C    0.045384   0.177534   0.820521  -0.485505  -0.094439   0.038267
     4  C    0.356034   0.413528  -0.336177   0.163867  -0.068740  -0.022287
     5  C   -0.236595   0.011680  -3.594686   1.290414  -0.261360  -0.340314
     6  C    0.161984  -0.053109   0.694264  -2.457899  -0.671168   0.376165
     7  C   -0.062347   0.002024  -0.430411   1.307668  -0.803728  -2.574065
     8  C    0.093125   0.011845   1.076460  -1.009281   0.383756   0.853895
     9  H    0.018054   0.014056  -0.024996   0.072264  -0.003435   0.001934
    10  H    0.000305   0.002430  -0.005748   0.000862   0.013266  -0.075191
    11  H   -0.000474   0.000279   0.011977  -0.083339  -0.002762  -0.054069
    12  H   -0.162280  -0.201420   0.020405   0.024603   0.002580   0.000167
    13  H    1.126926  -0.205251  -0.032931  -0.034256   0.020276  -0.002517
    14  H   -0.205251   1.102641   0.013060   0.016228  -0.031450  -0.001355
    15  H   -0.032931   0.013060   4.085576  -0.309066  -0.028923   0.004133
    16  C   -0.034256   0.016228  -0.309066   7.145857  -0.638738  -0.242609
    17  C    0.020276  -0.031450  -0.028923  -0.638738   6.690102   0.110998
    18  H   -0.002517  -0.001355   0.004133  -0.242609   0.110998   3.309913
    19  H    0.011398   0.006475  -0.123575   0.162417   0.057821  -0.114706
    20  H    0.003689  -0.007114   0.183113  -0.161123   0.016916   0.131067
    21  H   -0.001809  -0.032303   0.017276  -0.157687   0.215628  -0.001386
    22  H   -0.003934   0.012685   0.024485   0.057140  -0.245639   0.003347
    23  H   -0.001043   0.004875  -0.004454   0.066820  -0.044825   0.002361
    24  H    0.001662   0.001173  -0.070052  -0.096443  -0.354994  -0.068854
    25  H    0.000002  -0.001632   0.031137  -0.017224   0.122182  -0.008015
    26  H    0.003497  -0.001744  -0.025905   0.158184   0.268872   0.019017
              19         20         21         22         23         24
     1  C   -0.376645   0.205702   0.237705   0.025547  -0.015175   0.010981
     2  C    0.038219   0.201756  -0.002407  -0.024765   0.036366  -0.008046
     3  C    0.472506   0.026986  -0.129852   0.195797   0.010927   0.003869
     4  C    0.070771  -0.183044  -0.166886  -0.009928   0.044382   0.035678
     5  C   -0.011710  -0.838559  -0.432177  -0.223452   0.204559   0.003293
     6  C   -0.064095   0.419990   0.656937   0.136458  -0.043456   0.853825
     7  C    0.254667  -0.973296  -0.304503   0.024568  -0.015216   0.063848
     8  C   -0.857532   0.612967   0.198495   0.037978  -0.108271  -0.279656
     9  H    0.003847  -0.009879  -0.033714   0.005927   0.001692  -0.002158
    10  H    0.044411  -0.050390   0.014616  -0.006647   0.012384  -0.000560
    11  H   -0.014519   0.038963  -0.015970   0.013570  -0.032813   0.002582
    12  H    0.001021  -0.003904   0.020134  -0.003022   0.002584   0.000500
    13  H    0.011398   0.003689  -0.001809  -0.003934  -0.001043   0.001662
    14  H    0.006475  -0.007114  -0.032303   0.012685   0.004875   0.001173
    15  H   -0.123575   0.183113   0.017276   0.024485  -0.004454  -0.070052
    16  C    0.162417  -0.161123  -0.157687   0.057140   0.066820  -0.096443
    17  C    0.057821   0.016916   0.215628  -0.245639  -0.044825  -0.354994
    18  H   -0.114706   0.131067  -0.001386   0.003347   0.002361  -0.068854
    19  H    3.116368  -1.048747   0.027100  -0.004352  -0.004735  -0.032217
    20  H   -1.048747   3.115698  -0.002858   0.004041  -0.007200  -0.008691
    21  H    0.027100  -0.002858   2.413828  -0.594632  -0.559615  -0.054884
    22  H   -0.004352   0.004041  -0.594632   1.968647  -0.231633   0.023161
    23  H   -0.004735  -0.007200  -0.559615  -0.231633   1.758428   0.033500
    24  H   -0.032217  -0.008691  -0.054884   0.023161   0.033500   2.082100
    25  H    0.001425   0.008481   0.015510   0.010172  -0.047865  -0.395713
    26  H    0.017475   0.003325   0.053601  -0.060693  -0.004914  -0.424354
              25         26
     1  C   -0.021321   0.010671
     2  C    0.064127  -0.038539
     3  C   -0.020848   0.079317
     4  C   -0.006665  -0.024568
     5  C    0.058619  -0.223322
     6  C   -0.000548  -0.065608
     7  C   -0.081940  -0.051711
     8  C    0.028582   0.086069
     9  H    0.000712   0.000653
    10  H   -0.005146   0.004395
    11  H    0.023111  -0.011585
    12  H    0.000201  -0.000829
    13  H    0.000002   0.003497
    14  H   -0.001632  -0.001744
    15  H    0.031137  -0.025905
    16  C   -0.017224   0.158184
    17  C    0.122182   0.268872
    18  H   -0.008015   0.019017
    19  H    0.001425   0.017475
    20  H    0.008481   0.003325
    21  H    0.015510   0.053601
    22  H    0.010172  -0.060693
    23  H   -0.047865  -0.004914
    24  H   -0.395713  -0.424354
    25  H    1.911164  -0.477056
    26  H   -0.477056   1.888244
 Mulliken charges:
               1
     1  C    0.464654
     2  C    0.618422
     3  C   -0.353835
     4  C    0.546495
     5  C    2.296095
     6  C   -2.614698
     7  C    1.761012
     8  C    0.729208
     9  H   -0.874270
    10  H   -0.299733
    11  H   -0.280720
    12  H   -0.267496
    13  H   -0.029249
    14  H   -0.039139
    15  H   -1.087397
    16  C    1.518394
    17  C    1.290587
    18  H   -0.801218
    19  H   -0.633089
    20  H   -0.677890
    21  H   -0.380146
    22  H   -0.134828
    23  H   -0.057662
    24  H   -0.319552
    25  H   -0.191452
    26  H   -0.182493
 Sum of Mulliken charges =   0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C   -0.409616
     2  C    0.037970
     3  C   -0.353835
     4  C    0.210611
     5  C    1.208698
     6  C   -2.614698
     7  C    0.959794
     8  C   -0.581771
    16  C    0.945758
    17  C    0.597091
 Electronic spatial extent (au):  <R**2>=           1369.9237
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=             -0.1020    Y=             -0.1301    Z=             -0.0593  Tot=              0.1756
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -63.5793   YY=            -62.9762   ZZ=            -64.7980
   XY=             -0.6877   XZ=              0.4246   YZ=              0.9168
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=              0.2052   YY=              0.8083   ZZ=             -1.0135
   XY=             -0.6877   XZ=              0.4246   YZ=              0.9168
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=              3.2645  YYY=             -0.6295  ZZZ=             -2.7454  XYY=              1.0541
  XXY=              0.7529  XXZ=              2.0322  XZZ=             -0.7380  YZZ=              0.8373
  YYZ=              0.7870  XYZ=              1.0286
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=           -981.6466 YYYY=           -527.0094 ZZZZ=           -439.1563 XXXY=             -7.1251
 XXXZ=              4.8232 YYYX=              2.2508 YYYZ=             -2.7583 ZZZX=              1.1754
 ZZZY=              5.8343 XXYY=           -256.8976 XXZZ=           -232.4610 YYZZ=           -162.5740
 XXYZ=              5.2729 YYXZ=             -0.2324 ZZXY=             -1.4343
 N-N= 5.686660221298D+02 E-N=-2.040602522843D+03  KE= 3.874270862039D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Fri Jul 16 21:25:40 2021, MaxMem=  5637144576 cpu:              10.2 elap:               1.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        =-4.01354395D-02-4.67109708D-02-2.98293330D-02
 Polarizability= 1.17628112D+02-3.73203591D-01 1.14129905D+02
                 4.01355505D-01 4.33344675D+00 1.02520822D+02
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 2      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 3      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 4      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 5      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 6      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -0.2397   -0.2396       -0.2315   -0.2301
 2      0.2397    0.2396       -2.3277   -2.3279       -1.8245   -1.8263
 3      0.2315    0.2301        8.0211    8.0230        2.3278    2.3279
 4      2.3277    2.3279        0.0000    0.0000        0.2313    0.2301
 5     -6.1967   -6.1967       -0.2313   -0.2301       -0.2398   -0.2396
 6     -2.3278   -2.3279        0.2398    0.2396        0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        0.7187    0.7187       -0.6903   -0.6903
 2      6.9837    6.9837        0.0000    0.0000       -0.6903   -0.6903
 3      6.9837    6.9837        0.7187    0.7187        0.0000    0.0000
 4      0.7187    0.7187       -6.9837   -6.9837       -5.4789   -5.4789
 5      0.6903    0.6903       24.0689   24.0689        6.9837    6.9837
 6    -18.5900  -18.5900       -0.6903   -0.6903       -0.7187   -0.7187
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0376    0.0000        0.9700    0.9583        0.8903    0.9204
 2     -0.9931   -0.9583        9.3414    9.3116        7.2952    7.3052
 3     -0.9565   -0.9204      -32.0429  -32.0918       -9.2950   -9.3116
 4     -9.3061   -9.3116       -0.0131    0.0000       -0.9547   -0.9204
 5     24.7858   24.7867        0.9497    0.9204        0.9628    0.9583
 6      9.3007    9.3116       -0.9408   -0.9583       -0.0220    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0535    0.0000       13.5140   13.4664       -6.8460   -6.8776
 2    -13.5320  -13.4664      -27.4129  -27.4119      -31.8396  -31.8235
 3      6.9005    6.8776      -29.2232  -29.2346       27.2789   27.4119
 4     27.4542   27.4119       -0.0471    0.0000        6.8726    6.8776
 5     60.9714   61.0581       -6.8307   -6.8776       13.4539   13.4664
 6    -27.4431  -27.4119      -13.4834  -13.4664       -0.0293    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     22.7928   22.7958       40.9470   40.8729       -4.8862   -4.8262
 2     55.4278   55.3396       59.0860   58.9855       -4.8575   -4.8262
 3     55.4122   55.3396       40.9274   40.8729       -6.9605   -6.9166
 4    -18.1731  -18.1126      -32.5614  -32.5438      -38.2870  -38.3232
 5     -2.0658   -2.0904      -23.0927  -23.0667       32.5468   32.5438
 6     61.2623   61.3899        2.0871    2.0904       18.1007   18.1126
 Full mass-weighted force constant matrix:
 Low frequencies ---   -5.9800   -0.0005    0.0001    0.0005    5.6420    9.5001
 Low frequencies ---  124.3867  182.0856  195.0144
 Diagonal vibrational polarizability:
        1.7543591       1.9093594       3.3530616
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   20491.80
                      1                      2                      3
                      A                      A                      A
 Frequencies --    124.3849               182.0848               195.0142
 Red. masses --      2.6490                 1.0304                 1.8429
 Frc consts  --      0.0241                 0.0201                 0.0413
 IR Inten    --      0.9979                 0.0619                 0.0468
 RamAct Fr= 1--      1.8334                 0.0511                 0.7677
  Dep-P Fr= 1--      0.7435                 0.7326                 0.7427
  Dep-U Fr= 1--      0.8529                 0.8457                 0.8523
 Alpha2 Fr= 1--      0.0002                 0.0000                 0.0001
 Beta2  Fr= 1--      0.2606                 0.0072                 0.1091
 AlphaG Fr= 1--     -0.0068                -0.0000                 0.0001
 Gamma2 Fr= 1--     -0.1051                -0.0275                 0.3143
 Delta2 Fr= 1--     -0.1068                 0.0021                -0.0012
 Raman1 Fr= 1--       7.334                  0.204                  3.071
 ROA1   Fr= 1--     -13.511                 -2.574                 30.137
 CID1   Fr= 1--      -1.842                -12.595                  9.814
 Raman2 Fr= 1--       3.127                  0.086                  1.309
 ROA2   Fr= 1--      -1.669                 -0.677                  7.554
 CID2   Fr= 1--      -0.534                 -7.834                  5.772
 Raman3 Fr= 1--       6.255                  0.173                  2.617
 ROA3   Fr= 1--     -13.511                 -2.574                 30.137
 CID3   Fr= 1--      -2.160                -14.894                 11.514
 RC180  Fr= 1--       0.706                  0.691                  0.705
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.04  -0.07    -0.00  -0.01   0.01     0.00   0.03  -0.03
     2   6     0.01   0.05  -0.04     0.01   0.01  -0.01    -0.01   0.01  -0.01
     3   6    -0.01   0.03  -0.05    -0.01  -0.01   0.01     0.00   0.01   0.02
     4   6    -0.12  -0.10   0.21    -0.00  -0.00  -0.02     0.06   0.07   0.03
     5   6     0.00   0.07  -0.09    -0.01  -0.00   0.01    -0.00  -0.05   0.03
     6   6     0.04  -0.01  -0.02    -0.00   0.01   0.00    -0.01  -0.02   0.00
     7   6    -0.02   0.02   0.03     0.00   0.01  -0.00     0.02  -0.02  -0.01
     8   6    -0.06   0.08  -0.01     0.00  -0.00   0.00     0.02  -0.06  -0.00
     9   1    -0.02  -0.00   0.01    -0.00  -0.01   0.01     0.02   0.07  -0.10
    10   1    -0.03   0.04  -0.07     0.02  -0.01  -0.04    -0.03   0.02  -0.01
    11   1     0.06   0.05  -0.03     0.00   0.05  -0.02    -0.01  -0.01  -0.01
    12   1    -0.13  -0.14   0.25    -0.02  -0.03   0.03     0.15   0.30  -0.29
    13   1    -0.05  -0.33   0.29     0.02   0.07  -0.03    -0.16  -0.22   0.05
    14   1    -0.30   0.02   0.35    -0.01  -0.03  -0.09     0.26   0.19   0.39
    15   1     0.01   0.09  -0.13    -0.01  -0.00   0.01     0.02  -0.06   0.05
    16   6     0.15  -0.11  -0.05     0.01  -0.02  -0.00     0.01  -0.14  -0.03
    17   6     0.03  -0.02   0.03    -0.00   0.01   0.00    -0.10   0.16   0.01
    18   1    -0.05  -0.01   0.09     0.01   0.01  -0.01     0.01  -0.03  -0.04
    19   1    -0.08   0.08   0.00     0.00   0.00   0.00     0.02  -0.06  -0.00
    20   1    -0.10   0.13  -0.02     0.01  -0.01   0.00     0.03  -0.09  -0.01
    21   1     0.13  -0.03  -0.07    -0.17   0.33   0.11     0.01  -0.17  -0.02
    22   1     0.28  -0.12  -0.14     0.45  -0.05  -0.08     0.03  -0.15  -0.15
    23   1     0.12  -0.25   0.03    -0.22  -0.40  -0.05     0.01  -0.22   0.04
    24   1    -0.05   0.04   0.05     0.17  -0.30  -0.09    -0.12   0.25   0.04
    25   1     0.05  -0.10   0.11    -0.03   0.29  -0.24    -0.01   0.25   0.08
    26   1     0.08  -0.03  -0.04    -0.15   0.05   0.34    -0.25   0.15  -0.05
                      4                      5                      6
                      A                      A                      A
 Frequencies --    204.2232               225.1366               264.2680
 Red. masses --      1.2526                 1.1172                 2.8534
 Frc consts  --      0.0308                 0.0334                 0.1174
 IR Inten    --      0.1289                 0.1561                 0.0331
 RamAct Fr= 1--      0.2985                 0.2834                 1.7110
  Dep-P Fr= 1--      0.7500                 0.7500                 0.5902
  Dep-U Fr= 1--      0.8571                 0.8571                 0.7423
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0051
 Beta2  Fr= 1--      0.0426                 0.0405                 0.2117
 AlphaG Fr= 1--      0.0001                -0.0001                -0.0001
 Gamma2 Fr= 1--     -0.2936                 0.2621                 0.1662
 Delta2 Fr= 1--      0.0607                 0.0131                 0.0448
 Raman1 Fr= 1--       1.194                  1.134                  6.844
 ROA1   Fr= 1--     -26.240                 25.576                 17.391
 CID1   Fr= 1--     -21.975                 22.561                  2.541
 Raman2 Fr= 1--       0.512                  0.486                  2.540
 ROA2   Fr= 1--      -7.531                  6.185                  3.631
 CID2   Fr= 1--     -14.716                 12.730                  1.429
 Raman3 Fr= 1--       1.024                  0.972                  5.081
 ROA3   Fr= 1--     -26.240                 25.576                 17.391
 CID3   Fr= 1--     -25.638                 26.321                  3.423
 RC180  Fr= 1--       0.714                  0.714                  0.485
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.00   0.01    -0.01  -0.00  -0.01    -0.12  -0.10   0.17
     2   6    -0.01   0.01  -0.03    -0.02  -0.02   0.03    -0.09  -0.06   0.08
     3   6    -0.01  -0.00   0.02     0.01   0.01  -0.03    -0.04  -0.03   0.01
     4   6     0.03   0.03   0.02     0.01   0.01   0.03    -0.01   0.01  -0.02
     5   6     0.00  -0.02  -0.01     0.01   0.00  -0.04     0.01  -0.00  -0.08
     6   6     0.00  -0.01  -0.00     0.01  -0.03  -0.01     0.02   0.03  -0.06
     7   6     0.01  -0.01  -0.02    -0.01  -0.02   0.01     0.00   0.01  -0.11
     8   6     0.00  -0.04  -0.02    -0.01   0.02  -0.01     0.07   0.01  -0.08
     9   1    -0.03  -0.01   0.04    -0.02  -0.01   0.01    -0.17  -0.15   0.29
    10   1     0.01  -0.01  -0.06    -0.05   0.00   0.08     0.02  -0.04   0.20
    11   1    -0.03   0.04  -0.04    -0.02  -0.08   0.04    -0.25  -0.14   0.04
    12   1    -0.15  -0.13   0.46    -0.02   0.02   0.08     0.06   0.11  -0.21
    13   1     0.39   0.44   0.02     0.07  -0.01   0.05    -0.16  -0.12  -0.03
    14   1    -0.11  -0.15  -0.44    -0.02   0.02   0.03     0.11   0.06   0.16
    15   1     0.01  -0.03   0.00     0.03   0.02  -0.07     0.01  -0.00  -0.08
    16   6     0.04  -0.05  -0.02     0.03   0.00  -0.01     0.17   0.12  -0.05
    17   6    -0.05   0.08   0.04    -0.02   0.02   0.02    -0.03   0.01   0.11
    18   1    -0.00  -0.02  -0.04    -0.02  -0.04   0.03    -0.00   0.00  -0.17
    19   1     0.00  -0.04  -0.01    -0.02   0.03   0.00     0.08   0.01  -0.10
    20   1     0.00  -0.04  -0.03    -0.03   0.04  -0.01     0.09  -0.01  -0.07
    21   1     0.07  -0.09  -0.04     0.17  -0.26  -0.11     0.15   0.24  -0.12
    22   1     0.02  -0.05  -0.06    -0.31   0.03   0.06     0.31   0.12  -0.00
    23   1     0.08  -0.05   0.03     0.21   0.30   0.03     0.15   0.04  -0.01
    24   1    -0.14   0.19   0.08     0.17  -0.34  -0.09    -0.19   0.06   0.15
    25   1     0.02   0.06   0.16    -0.02   0.38  -0.25     0.05  -0.02   0.26
    26   1    -0.09   0.06  -0.06    -0.24   0.07   0.42    -0.00   0.01   0.08
                      7                      8                      9
                      A                      A                      A
 Frequencies --    307.1169               336.7965               390.9425
 Red. masses --      2.3115                 1.8960                 2.2632
 Frc consts  --      0.1285                 0.1267                 0.2038
 IR Inten    --      0.8534                 1.1205                 0.1308
 RamAct Fr= 1--      1.2097                 0.2323                 1.1686
  Dep-P Fr= 1--      0.7008                 0.6321                 0.7423
  Dep-U Fr= 1--      0.8241                 0.7746                 0.8521
 Alpha2 Fr= 1--      0.0010                 0.0005                 0.0002
 Beta2  Fr= 1--      0.1662                 0.0300                 0.1660
 AlphaG Fr= 1--      0.0151                -0.0069                -0.0005
 Gamma2 Fr= 1--      0.0652                -0.0883                -0.8299
 Delta2 Fr= 1--      0.0645                 0.0075                -0.0629
 Raman1 Fr= 1--       4.839                  0.929                  4.674
 ROA1   Fr= 1--       8.320                 -8.242                -81.678
 CID1   Fr= 1--       1.719                 -8.870                -17.474
 Raman2 Fr= 1--       1.994                  0.360                  1.991
 ROA2   Fr= 1--       1.048                 -2.180                -19.413
 CID2   Fr= 1--       0.526                 -6.058                 -9.748
 Raman3 Fr= 1--       3.988                  0.720                  3.983
 ROA3   Fr= 1--       8.320                 -8.242                -81.678
 CID3   Fr= 1--       2.086                -11.452                -20.507
 RC180  Fr= 1--       0.648                  0.549                  0.704
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03  -0.07  -0.09    -0.05  -0.11   0.13    -0.03   0.01   0.07
     2   6     0.03  -0.09   0.05     0.08   0.06  -0.12    -0.07  -0.01  -0.04
     3   6     0.03  -0.06  -0.11    -0.03  -0.05   0.01     0.08   0.06  -0.04
     4   6     0.16   0.05   0.11     0.06   0.04   0.01    -0.02  -0.06  -0.04
     5   6    -0.02  -0.01  -0.08    -0.02   0.03  -0.04     0.11   0.01  -0.06
     6   6    -0.02  -0.01  -0.02     0.00   0.01   0.01     0.10  -0.10   0.01
     7   6    -0.02  -0.01   0.04    -0.01   0.03   0.03    -0.05  -0.12   0.05
     8   6    -0.08   0.06   0.00    -0.07   0.05   0.00    -0.06  -0.01   0.01
     9   1     0.03  -0.10  -0.08    -0.08  -0.20   0.25    -0.10   0.02   0.21
    10   1    -0.00  -0.04   0.15     0.26  -0.14  -0.47    -0.09  -0.08  -0.20
    11   1     0.09  -0.22   0.09     0.11   0.47  -0.20    -0.06   0.15  -0.07
    12   1     0.00   0.25   0.24     0.05   0.20  -0.08     0.06  -0.19  -0.07
    13   1     0.40  -0.02   0.19     0.03   0.02   0.01    -0.09  -0.12  -0.04
    14   1     0.24   0.05   0.17     0.24   0.03   0.09    -0.15  -0.00  -0.01
    15   1    -0.08   0.03  -0.15    -0.06   0.04  -0.07     0.19   0.04  -0.11
    16   6    -0.07   0.10   0.00    -0.01  -0.04  -0.00    -0.03   0.05   0.07
    17   6    -0.05   0.00   0.02     0.02  -0.03   0.01     0.03   0.12  -0.03
    18   1     0.00   0.02   0.12    -0.00   0.04   0.08    -0.13  -0.23   0.15
    19   1    -0.11   0.08   0.04    -0.09   0.04   0.02    -0.05  -0.07   0.01
    20   1    -0.11   0.09  -0.02    -0.10   0.07  -0.02    -0.15   0.11   0.00
    21   1    -0.18   0.33   0.07     0.03  -0.16  -0.00    -0.13   0.22   0.16
    22   1     0.14   0.10   0.10    -0.14  -0.04  -0.03     0.03   0.07   0.25
    23   1    -0.21  -0.01  -0.12     0.04   0.04   0.02    -0.16   0.09  -0.14
    24   1    -0.13   0.08   0.04     0.03  -0.09  -0.01     0.04   0.32   0.01
    25   1    -0.02  -0.05   0.11    -0.01  -0.03  -0.03     0.13   0.23   0.04
    26   1    -0.02  -0.01  -0.06     0.06  -0.02   0.06    -0.20   0.11  -0.18
                     10                     11                     12
                      A                      A                      A
 Frequencies --    397.1011               430.4228               467.2026
 Red. masses --      2.4370                 2.2223                 2.9458
 Frc consts  --      0.2264                 0.2426                 0.3788
 IR Inten    --      0.2618                 1.0229                 0.1932
 RamAct Fr= 1--      1.5502                 0.8200                 2.2501
  Dep-P Fr= 1--      0.1275                 0.6895                 0.3675
  Dep-U Fr= 1--      0.2262                 0.8162                 0.5374
 Alpha2 Fr= 1--      0.0254                 0.0009                 0.0187
 Beta2  Fr= 1--      0.0584                 0.1115                 0.2015
 AlphaG Fr= 1--      0.0330                -0.0042                 0.0112
 Gamma2 Fr= 1--     -0.0654                -0.2199                -0.0409
 Delta2 Fr= 1--      0.0116                 0.0120                -0.1165
 Raman1 Fr= 1--       6.201                  3.280                  9.000
 ROA1   Fr= 1--      -5.905                -20.725                 -7.652
 CID1   Fr= 1--      -0.952                 -6.319                 -0.850
 Raman2 Fr= 1--       0.701                  1.339                  2.419
 ROA2   Fr= 1--      -1.662                 -5.374                 -0.049
 CID2   Fr= 1--      -2.369                 -4.015                 -0.020
 Raman3 Fr= 1--       1.403                  2.677                  4.837
 ROA3   Fr= 1--      -5.905                -20.725                 -7.652
 CID3   Fr= 1--      -4.210                 -7.741                 -1.582
 RC180  Fr= 1--      -0.548                  0.632                  0.075
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.06   0.05   0.04    -0.01   0.02  -0.08    -0.13  -0.05  -0.08
     2   6     0.04   0.01   0.00    -0.04   0.02  -0.07    -0.06   0.03  -0.01
     3   6     0.07   0.07  -0.00    -0.00  -0.06   0.06    -0.09  -0.03  -0.12
     4   6    -0.01  -0.02  -0.02     0.03  -0.04  -0.01    -0.05   0.04   0.00
     5   6     0.08   0.06  -0.05     0.01   0.00  -0.01    -0.05  -0.05  -0.07
     6   6     0.01  -0.01  -0.06    -0.05  -0.07  -0.02     0.12   0.03   0.08
     7   6     0.05   0.01  -0.05    -0.07  -0.05   0.04     0.03   0.01  -0.03
     8   6     0.03   0.03  -0.05     0.17   0.13   0.09     0.12   0.04  -0.03
     9   1     0.04   0.04   0.10    -0.00   0.10  -0.16    -0.12  -0.13  -0.05
    10   1     0.02   0.03   0.02    -0.09  -0.06  -0.27    -0.02   0.05   0.07
    11   1    -0.01  -0.01  -0.01     0.09   0.19  -0.07    -0.07  -0.06   0.01
    12   1     0.05  -0.13  -0.04     0.05  -0.03  -0.05    -0.12   0.15   0.06
    13   1    -0.06  -0.06  -0.02    -0.02   0.03  -0.04     0.07  -0.02   0.05
    14   1    -0.11   0.01  -0.01     0.09  -0.07  -0.05    -0.02   0.06   0.05
    15   1     0.16   0.07  -0.08     0.02   0.07  -0.13    -0.15  -0.05  -0.05
    16   6    -0.17  -0.06  -0.06     0.02   0.03  -0.01    -0.08  -0.07   0.12
    17   6    -0.07  -0.08   0.19    -0.10  -0.04   0.04     0.18   0.06   0.09
    18   1     0.06   0.03  -0.05    -0.09  -0.08   0.01    -0.03  -0.07  -0.09
    19   1    -0.01  -0.04   0.01     0.37   0.26  -0.17     0.21   0.24  -0.20
    20   1    -0.02   0.05  -0.11     0.31   0.22   0.43     0.29  -0.02   0.18
    21   1    -0.25  -0.11   0.15     0.04   0.10  -0.09    -0.16  -0.17   0.37
    22   1    -0.25  -0.06  -0.12     0.06   0.04   0.11    -0.20  -0.08   0.01
    23   1    -0.28  -0.07  -0.20     0.05   0.07  -0.01    -0.19  -0.09  -0.03
    24   1    -0.34  -0.19   0.21    -0.12  -0.01   0.04     0.23   0.07   0.08
    25   1     0.06  -0.04   0.37    -0.05   0.00   0.08     0.15   0.04   0.06
    26   1    -0.02  -0.06   0.34    -0.15  -0.04   0.03     0.19   0.05   0.07
                     13                     14                     15
                      A                      A                      A
 Frequencies --    489.6757               578.3572               629.1329
 Red. masses --      3.7393                 3.0073                 3.6147
 Frc consts  --      0.5283                 0.5927                 0.8430
 IR Inten    --      0.4536                 1.4831                 0.8058
 RamAct Fr= 1--      1.9170                 4.3510                 2.4177
  Dep-P Fr= 1--      0.4753                 0.1386                 0.5178
  Dep-U Fr= 1--      0.6444                 0.2434                 0.6823
 Alpha2 Fr= 1--      0.0106                 0.0692                 0.0110
 Beta2  Fr= 1--      0.2059                 0.1765                 0.2749
 AlphaG Fr= 1--     -0.0181                -0.0312                 0.0075
 Gamma2 Fr= 1--      0.5545                -0.8453                 0.9617
 Delta2 Fr= 1--      0.1382                -0.5477                 0.7533
 Raman1 Fr= 1--       7.668                 17.404                  9.671
 ROA1   Fr= 1--      57.653                -98.676                116.428
 CID1   Fr= 1--       7.519                 -5.670                 12.039
 Raman2 Fr= 1--       2.471                  2.118                  3.299
 ROA2   Fr= 1--      12.202                -15.906                 17.054
 CID2   Fr= 1--       4.939                 -7.510                  5.169
 Raman3 Fr= 1--       4.941                  4.236                  6.598
 ROA3   Fr= 1--      57.653                -98.676                116.428
 CID3   Fr= 1--      11.668                -23.295                 17.645
 RC180  Fr= 1--       0.289                 -0.513                  0.365
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03  -0.02  -0.03    -0.02   0.02  -0.09     0.13   0.01   0.00
     2   6    -0.15  -0.06  -0.07    -0.01   0.02   0.00     0.07  -0.16  -0.09
     3   6     0.16  -0.07   0.03    -0.11  -0.14   0.24    -0.06  -0.03   0.17
     4   6     0.18  -0.18  -0.02    -0.02  -0.01   0.02    -0.07   0.07   0.03
     5   6     0.05   0.10   0.10     0.02  -0.02  -0.02     0.00   0.13  -0.06
     6   6    -0.02   0.16   0.05     0.12  -0.01  -0.09    -0.03  -0.05   0.06
     7   6    -0.18   0.09  -0.10    -0.01  -0.01   0.05     0.01  -0.05  -0.13
     8   6    -0.06   0.05  -0.01    -0.08   0.02   0.01    -0.04   0.11  -0.17
     9   1    -0.13   0.17   0.03     0.05   0.09  -0.26     0.12   0.03   0.01
    10   1    -0.09  -0.01   0.08    -0.09   0.07   0.08    -0.02  -0.03   0.14
    11   1    -0.18  -0.19  -0.06     0.05  -0.10   0.04    -0.06  -0.39  -0.08
    12   1     0.22  -0.25  -0.04     0.03   0.09  -0.13    -0.04   0.15  -0.08
    13   1     0.14  -0.17  -0.03    -0.21   0.26  -0.09    -0.20   0.25  -0.05
    14   1     0.15  -0.18  -0.03     0.29  -0.17  -0.10     0.16  -0.04  -0.05
    15   1    -0.12   0.09   0.12     0.02  -0.00  -0.05     0.10   0.16  -0.11
    16   6    -0.02  -0.05   0.02    -0.01   0.03  -0.15     0.02  -0.05   0.22
    17   6     0.07   0.05   0.03     0.14   0.06   0.05    -0.03  -0.01  -0.02
    18   1    -0.16   0.11  -0.11    -0.08  -0.11   0.16     0.08   0.06   0.01
    19   1     0.05  -0.14  -0.06    -0.17  -0.07   0.14     0.04   0.02  -0.23
    20   1    -0.11   0.15   0.02    -0.20   0.07  -0.12    -0.06   0.21  -0.10
    21   1     0.03  -0.24   0.07    -0.08   0.02   0.00     0.02  -0.05   0.22
    22   1    -0.08  -0.08  -0.28    -0.10   0.04  -0.10     0.02  -0.05   0.24
    23   1     0.03  -0.16   0.17    -0.10   0.10  -0.33     0.02  -0.06   0.22
    24   1     0.10   0.01   0.02    -0.01   0.01   0.07     0.11   0.09  -0.02
    25   1     0.02   0.02  -0.02     0.24   0.11   0.15    -0.08   0.01  -0.10
    26   1     0.13   0.06   0.07     0.12   0.06   0.11    -0.13  -0.02  -0.13
                     16                     17                     18
                      A                      A                      A
 Frequencies --    677.5980               784.1203               809.7346
 Red. masses --      3.2757                 2.5695                 1.2012
 Frc consts  --      0.8861                 0.9308                 0.4640
 IR Inten    --      0.0523                 3.0092                13.7459
 RamAct Fr= 1--     15.2072                 5.7285                 0.5865
  Dep-P Fr= 1--      0.0106                 0.1337                 0.5898
  Dep-U Fr= 1--      0.0210                 0.2358                 0.7420
 Alpha2 Fr= 1--      0.3296                 0.0923                 0.0018
 Beta2  Fr= 1--      0.0533                 0.2251                 0.0725
 AlphaG Fr= 1--      0.0792                 0.0450                -0.0511
 Gamma2 Fr= 1--      0.5406                 1.8775                -2.0470
 Delta2 Fr= 1--      0.1939                -0.1503                -1.0723
 Raman1 Fr= 1--      60.829                 22.914                  2.346
 ROA1   Fr= 1--      58.100                175.430               -230.823
 CID1   Fr= 1--       0.955                  7.656                -98.395
 Raman2 Fr= 1--       0.639                  2.701                  0.870
 ROA2   Fr= 1--      11.422                 46.263                -40.549
 CID2   Fr= 1--      17.865                 17.125                -46.591
 Raman3 Fr= 1--       1.279                  5.403                  1.741
 ROA3   Fr= 1--      58.100                175.430               -230.823
 CID3   Fr= 1--      45.437                 32.470               -132.609
 RC180  Fr= 1--      -0.958                 -0.528                  0.484
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.10   0.04  -0.04    -0.07  -0.06  -0.09     0.05   0.05  -0.05
     2   6    -0.03   0.25   0.07     0.01  -0.06  -0.07     0.02   0.04  -0.04
     3   6    -0.01  -0.07   0.06    -0.02  -0.04  -0.03     0.00   0.01   0.00
     4   6     0.11  -0.13  -0.00    -0.10   0.07   0.00     0.00  -0.01   0.02
     5   6     0.03  -0.04  -0.13     0.19   0.06  -0.01    -0.02  -0.02  -0.01
     6   6     0.01  -0.08   0.01    -0.01   0.02   0.01    -0.01   0.02   0.01
     7   6     0.09   0.12  -0.03    -0.01   0.08  -0.02    -0.02  -0.03   0.03
     8   6    -0.00   0.00  -0.02     0.07  -0.05   0.21    -0.01  -0.03  -0.00
     9   1    -0.10  -0.02   0.01    -0.17  -0.18   0.17    -0.23  -0.36   0.74
    10   1     0.01   0.32   0.24     0.07  -0.02   0.06    -0.16   0.16   0.13
    11   1    -0.06   0.06   0.10     0.09  -0.18  -0.02     0.10  -0.20   0.03
    12   1     0.16  -0.13  -0.08    -0.12   0.15  -0.02     0.05   0.02  -0.09
    13   1     0.01  -0.02  -0.05    -0.10   0.10  -0.01    -0.08   0.11  -0.04
    14   1     0.21  -0.18  -0.06    -0.04   0.05  -0.01     0.13  -0.08  -0.05
    15   1     0.06   0.03  -0.26     0.22   0.20  -0.27    -0.03  -0.04   0.03
    16   6     0.02  -0.04   0.15    -0.00   0.00   0.03    -0.01   0.01  -0.03
    17   6    -0.10  -0.05  -0.05    -0.02  -0.00  -0.02    -0.00   0.01   0.01
    18   1     0.03   0.03  -0.19     0.05   0.15  -0.20    -0.05  -0.06   0.09
    19   1    -0.20   0.01   0.19    -0.01  -0.43   0.41     0.08   0.06  -0.12
    20   1    -0.09  -0.09  -0.29    -0.19   0.05  -0.11     0.08  -0.04   0.14
    21   1     0.00   0.04   0.13     0.01  -0.02   0.01     0.00   0.00  -0.04
    22   1     0.03  -0.03   0.31     0.02  -0.01  -0.03     0.01   0.01  -0.06
    23   1     0.01   0.03   0.07     0.02  -0.04   0.08     0.01  -0.01   0.01
    24   1    -0.04  -0.01  -0.05    -0.07  -0.01  -0.01     0.02  -0.01  -0.00
    25   1    -0.12  -0.05  -0.09    -0.00   0.01  -0.00    -0.04  -0.03  -0.02
    26   1    -0.15  -0.06  -0.11    -0.04   0.00   0.00     0.05   0.01   0.01
                     19                     20                     21
                      A                      A                      A
 Frequencies --    829.6739               853.3449               900.6156
 Red. masses --      2.3046                 2.5309                 2.4746
 Frc consts  --      0.9347                 1.0859                 1.1826
 IR Inten    --      0.1607                 0.7871                 3.2586
 RamAct Fr= 1--      2.9899                 6.7110                 1.7822
  Dep-P Fr= 1--      0.7433                 0.3998                 0.5713
  Dep-U Fr= 1--      0.8527                 0.5712                 0.7272
 Alpha2 Fr= 1--      0.0003                 0.0497                 0.0060
 Beta2  Fr= 1--      0.4249                 0.6389                 0.2160
 AlphaG Fr= 1--     -0.0071                 0.0319                 0.0297
 Gamma2 Fr= 1--     -0.6857                -0.2631                -1.5826
 Delta2 Fr= 1--      0.3086                 0.1876                -0.2418
 Raman1 Fr= 1--      11.960                 26.844                  7.129
 ROA1   Fr= 1--     -55.950                -19.251               -159.671
 CID1   Fr= 1--      -4.678                 -0.717                -22.398
 Raman2 Fr= 1--       5.099                  7.667                  2.592
 ROA2   Fr= 1--     -18.926                 -7.815                -36.048
 CID2   Fr= 1--      -3.712                 -1.019                -13.907
 Raman3 Fr= 1--      10.198                 15.335                  5.184
 ROA3   Fr= 1--     -55.950                -19.251               -159.671
 CID3   Fr= 1--      -5.486                 -1.255                -30.800
 RC180  Fr= 1--       0.705                  0.142                  0.454
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04   0.05  -0.01    -0.05   0.04   0.01    -0.13   0.00  -0.11
     2   6    -0.06  -0.07   0.00    -0.03  -0.09  -0.13    -0.02  -0.07   0.02
     3   6     0.00   0.01   0.04     0.04   0.04   0.00     0.00  -0.01  -0.01
     4   6     0.02  -0.01   0.01     0.02   0.00   0.01     0.00  -0.01  -0.00
     5   6     0.03  -0.04  -0.14    -0.08  -0.09   0.08     0.00   0.10   0.15
     6   6    -0.08   0.14   0.04     0.03  -0.07  -0.01     0.07   0.01  -0.03
     7   6     0.13  -0.13   0.09     0.18   0.02  -0.08     0.07   0.01   0.11
     8   6     0.04  -0.01  -0.01    -0.06   0.13   0.13     0.09   0.05  -0.15
     9   1    -0.06   0.15  -0.04    -0.18   0.11   0.20    -0.30  -0.03   0.22
    10   1    -0.22  -0.14  -0.24    -0.06   0.00   0.05    -0.03  -0.15  -0.17
    11   1    -0.04   0.13  -0.03    -0.23  -0.26  -0.15     0.20   0.10   0.05
    12   1     0.09  -0.10  -0.04     0.09  -0.12  -0.02    -0.01   0.03  -0.01
    13   1    -0.09   0.03  -0.03    -0.05  -0.01  -0.01     0.02   0.00  -0.00
    14   1    -0.00  -0.03  -0.04    -0.09   0.02  -0.02     0.03  -0.02  -0.00
    15   1     0.06  -0.02  -0.19    -0.11  -0.11   0.12    -0.09  -0.02   0.39
    16   6    -0.03   0.04   0.02     0.01  -0.01  -0.03     0.03  -0.01   0.02
    17   6    -0.02   0.05   0.01     0.01  -0.01  -0.00    -0.06  -0.04  -0.06
    18   1     0.17  -0.09   0.08     0.28   0.15  -0.19     0.05  -0.01   0.31
    19   1    -0.17   0.13   0.18    -0.28   0.45   0.28    -0.10  -0.10   0.09
    20   1    -0.06   0.01  -0.16    -0.07   0.08   0.07     0.02  -0.08  -0.43
    21   1     0.05  -0.09  -0.03    -0.02   0.04  -0.02    -0.02  -0.01   0.13
    22   1     0.03   0.00  -0.28    -0.00   0.00   0.10    -0.03  -0.00   0.08
    23   1     0.05  -0.15   0.28    -0.02   0.06  -0.12    -0.02   0.03  -0.08
    24   1     0.06  -0.13  -0.03    -0.01   0.01   0.00    -0.26  -0.08  -0.04
    25   1    -0.24  -0.23  -0.11     0.05   0.03   0.03     0.07   0.04   0.08
    26   1     0.37   0.05   0.07    -0.06  -0.02  -0.02    -0.12  -0.03   0.03
                     22                     23                     24
                      A                      A                      A
 Frequencies --    922.5495               942.0762               955.2480
 Red. masses --      2.1860                 1.8985                 1.5453
 Frc consts  --      1.0962                 0.9927                 0.8308
 IR Inten    --      0.5143                 1.5823                 0.3783
 RamAct Fr= 1--      4.3323                 1.7180                 3.6940
  Dep-P Fr= 1--      0.1498                 0.7498                 0.5882
  Dep-U Fr= 1--      0.2605                 0.8570                 0.7407
 Alpha2 Fr= 1--      0.0670                 0.0000                 0.0112
 Beta2  Fr= 1--      0.1881                 0.2454                 0.4560
 AlphaG Fr= 1--     -0.0150                -0.0002                -0.0160
 Gamma2 Fr= 1--      0.3226                 1.4839                -0.5560
 Delta2 Fr= 1--      0.3971                -0.1511                 0.4059
 Raman1 Fr= 1--      17.329                  6.872                 14.776
 ROA1   Fr= 1--      43.680                137.619                -40.388
 CID1   Fr= 1--       2.521                 20.026                 -2.733
 Raman2 Fr= 1--       2.257                  2.945                  5.472
 ROA2   Fr= 1--       4.566                 36.823                -16.592
 CID2   Fr= 1--       2.023                 12.505                 -3.032
 Raman3 Fr= 1--       4.514                  5.889                 10.945
 ROA3   Fr= 1--      43.680                137.619                -40.388
 CID3   Fr= 1--       9.676                 23.368                 -3.690
 RC180  Fr= 1--      -0.479                  0.714                  0.481
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.07   0.05   0.00    -0.10   0.03  -0.01     0.00  -0.01   0.03
     2   6    -0.06  -0.04   0.02     0.06  -0.10  -0.03    -0.01   0.01  -0.04
     3   6    -0.03   0.02  -0.00     0.05   0.04   0.05    -0.01   0.00  -0.00
     4   6     0.03  -0.06  -0.02     0.04   0.04   0.04    -0.00  -0.02  -0.01
     5   6    -0.14   0.17  -0.02    -0.05  -0.00  -0.09    -0.03   0.06  -0.01
     6   6    -0.06  -0.08   0.02    -0.01  -0.02  -0.01     0.08   0.03   0.06
     7   6     0.03  -0.01   0.00    -0.05   0.12   0.06     0.03  -0.02   0.02
     8   6     0.08  -0.06   0.04    -0.01  -0.09  -0.01     0.01  -0.03   0.03
     9   1     0.01   0.00   0.16    -0.20   0.30  -0.02     0.04   0.06  -0.08
    10   1    -0.19  -0.10  -0.20     0.25  -0.11   0.05    -0.05   0.07   0.07
    11   1    -0.06   0.15  -0.02     0.24  -0.10   0.03    -0.10  -0.12  -0.04
    12   1    -0.07   0.13   0.02     0.25  -0.31  -0.07    -0.04   0.06   0.02
    13   1     0.18  -0.04   0.02    -0.24   0.05  -0.04     0.07  -0.02   0.01
    14   1     0.19  -0.08   0.04    -0.18   0.04  -0.09     0.05  -0.02   0.02
    15   1    -0.15   0.28  -0.24    -0.03   0.04  -0.19    -0.06   0.08  -0.06
    16   6    -0.02  -0.04  -0.05     0.01  -0.03  -0.01     0.09   0.05  -0.06
    17   6     0.09   0.02   0.05     0.01   0.01   0.02    -0.10  -0.05   0.03
    18   1     0.12   0.10  -0.19     0.04   0.24   0.19    -0.01  -0.06   0.10
    19   1    -0.06  -0.14   0.22     0.11   0.03  -0.18     0.04  -0.07   0.00
    20   1     0.07  -0.30  -0.24     0.20  -0.27   0.11     0.03  -0.06   0.04
    21   1    -0.02   0.13  -0.19    -0.03   0.06   0.01    -0.08  -0.14   0.46
    22   1     0.03  -0.00   0.23    -0.01  -0.00   0.17    -0.22   0.03  -0.28
    23   1     0.02   0.11  -0.11    -0.02   0.08  -0.13    -0.17   0.00  -0.40
    24   1     0.20   0.12   0.06     0.10   0.02   0.01     0.26   0.10  -0.00
    25   1     0.08   0.08  -0.01    -0.04  -0.02  -0.04    -0.30  -0.10  -0.24
    26   1    -0.02   0.01  -0.04     0.04   0.00  -0.01    -0.13  -0.07  -0.21
                     25                     26                     27
                      A                      A                      A
 Frequencies --    975.4039               976.4729              1023.2539
 Red. masses --      1.5663                 2.1247                 1.3869
 Frc consts  --      0.8780                 1.1936                 0.8556
 IR Inten    --      1.4656                 2.7724                 0.4239
 RamAct Fr= 1--      3.9484                 2.3653                 1.2223
  Dep-P Fr= 1--      0.4275                 0.7252                 0.6167
  Dep-U Fr= 1--      0.5989                 0.8407                 0.7629
 Alpha2 Fr= 1--      0.0264                 0.0010                 0.0030
 Beta2  Fr= 1--      0.3941                 0.3314                 0.1554
 AlphaG Fr= 1--     -0.0224                 0.0042                -0.0249
 Gamma2 Fr= 1--      1.8970                 0.2090                 0.1922
 Delta2 Fr= 1--      0.9760                -0.8321                -0.0831
 Raman1 Fr= 1--      15.794                  9.461                  4.889
 ROA1   Fr= 1--     213.343                 -6.566                 15.793
 CID1   Fr= 1--      13.508                 -0.694                  3.230
 Raman2 Fr= 1--       4.730                  3.977                  1.865
 ROA2   Fr= 1--      37.720                 11.671                  5.278
 CID2   Fr= 1--       7.975                  2.935                  2.830
 Raman3 Fr= 1--       9.459                  7.954                  3.730
 ROA3   Fr= 1--     213.343                 -6.566                 15.793
 CID3   Fr= 1--      22.554                 -0.825                  4.234
 RC180  Fr= 1--       0.198                  0.681                  0.526
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.06   0.02  -0.07    -0.12  -0.02  -0.03     0.04  -0.02  -0.02
     2   6    -0.03  -0.05   0.12     0.06   0.04   0.01    -0.03  -0.00   0.02
     3   6     0.02  -0.01   0.02    -0.00  -0.01  -0.01     0.02  -0.02   0.01
     4   6    -0.01   0.03   0.03     0.01   0.00  -0.00    -0.00   0.03  -0.01
     5   6     0.01  -0.07  -0.02     0.07   0.02   0.06     0.02  -0.04   0.03
     6   6     0.00  -0.00  -0.00    -0.09  -0.08   0.11    -0.02  -0.00  -0.00
     7   6    -0.06   0.04  -0.05     0.04  -0.04  -0.01    -0.03   0.02  -0.02
     8   6    -0.00   0.03  -0.00    -0.00   0.06  -0.08     0.02   0.04  -0.02
     9   1    -0.02  -0.13   0.20    -0.10  -0.03  -0.06     0.03  -0.11   0.07
    10   1     0.04  -0.24  -0.28     0.15   0.07   0.12     0.01  -0.03  -0.04
    11   1     0.18   0.37   0.09     0.11  -0.06   0.04    -0.01   0.07   0.01
    12   1     0.08  -0.09  -0.04     0.03  -0.06  -0.00     0.01  -0.04   0.03
    13   1    -0.15   0.08  -0.02    -0.03  -0.02  -0.01    -0.02  -0.04   0.01
    14   1    -0.07   0.01  -0.05    -0.05   0.02  -0.01    -0.12   0.08   0.01
    15   1    -0.02  -0.11   0.05     0.19   0.01   0.08     0.03  -0.07   0.07
    16   6     0.03   0.03   0.01    -0.07   0.02  -0.11     0.04  -0.09  -0.02
    17   6     0.01  -0.05   0.03     0.03  -0.02   0.12    -0.04   0.09   0.04
    18   1     0.00   0.12  -0.34     0.06  -0.02   0.01    -0.06  -0.03  -0.08
    19   1    -0.13   0.16   0.10     0.01  -0.04  -0.07    -0.01  -0.09   0.05
    20   1    -0.05   0.00  -0.12    -0.11   0.19  -0.10    -0.11   0.16  -0.11
    21   1    -0.01  -0.12   0.22     0.04   0.08  -0.38    -0.08   0.17   0.03
    22   1    -0.09   0.01  -0.22     0.08   0.01  -0.09    -0.04  -0.02   0.43
    23   1    -0.06  -0.07  -0.04     0.06  -0.01   0.09    -0.03   0.20  -0.35
    24   1     0.19   0.18   0.05     0.54   0.29   0.10     0.16  -0.14  -0.04
    25   1     0.02   0.11  -0.07    -0.15   0.03  -0.19    -0.34  -0.27  -0.15
    26   1    -0.26  -0.06  -0.16    -0.17  -0.06  -0.23     0.42   0.08   0.05
                     28                     29                     30
                      A                      A                      A
 Frequencies --   1037.8759              1061.1462              1066.4346
 Red. masses --      1.4686                 2.2427                 1.5612
 Frc consts  --      0.9321                 1.4879                 1.0461
 IR Inten    --      4.0711                 1.1779                 0.4633
 RamAct Fr= 1--      2.9871                 5.2785                 1.1348
  Dep-P Fr= 1--      0.1001                 0.1580                 0.6171
  Dep-U Fr= 1--      0.1820                 0.2729                 0.7632
 Alpha2 Fr= 1--      0.0523                 0.0800                 0.0028
 Beta2  Fr= 1--      0.0906                 0.2401                 0.1443
 AlphaG Fr= 1--      0.0571                 0.0652                -0.0443
 Gamma2 Fr= 1--      0.7632                 0.5601                -0.9494
 Delta2 Fr= 1--      0.1842                -0.1639                 0.2366
 Raman1 Fr= 1--      11.948                 21.114                  4.539
 ROA1   Fr= 1--      79.159                 48.529                -83.574
 CID1   Fr= 1--       6.625                  2.298                -18.411
 Raman2 Fr= 1--       1.087                  2.881                  1.732
 ROA2   Fr= 1--      16.842                 14.755                -24.679
 CID2   Fr= 1--      15.492                  5.121                -14.247
 Raman3 Fr= 1--       2.174                  5.762                  3.464
 ROA3   Fr= 1--      79.159                 48.529                -83.574
 CID3   Fr= 1--      36.406                  8.422                -24.124
 RC180  Fr= 1--      -0.636                 -0.454                  0.526
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.06  -0.00     0.11  -0.05   0.06     0.01  -0.06   0.02
     2   6    -0.01  -0.05   0.02    -0.10   0.01  -0.11    -0.04   0.01   0.00
     3   6    -0.02   0.02  -0.01     0.03  -0.04   0.01     0.06   0.03  -0.12
     4   6    -0.06  -0.10  -0.04    -0.04   0.04  -0.02    -0.05  -0.02   0.14
     5   6     0.09  -0.03  -0.01     0.04  -0.11  -0.03     0.02   0.03   0.01
     6   6    -0.01  -0.00  -0.00    -0.01  -0.01   0.00     0.01   0.01   0.03
     7   6     0.01   0.07   0.01    -0.04   0.15   0.12     0.01   0.01   0.01
     8   6    -0.06  -0.03  -0.01     0.07   0.04  -0.05    -0.00  -0.01  -0.00
     9   1    -0.10   0.20   0.07     0.14  -0.03  -0.02     0.14  -0.04  -0.23
    10   1     0.07  -0.11  -0.08    -0.36   0.11   0.00    -0.08   0.00  -0.04
    11   1     0.01   0.10  -0.00    -0.21  -0.15  -0.10    -0.10   0.03  -0.02
    12   1    -0.29   0.39   0.02    -0.09   0.06   0.06     0.15   0.05  -0.26
    13   1     0.27   0.02   0.02     0.04  -0.05   0.02    -0.42   0.51  -0.09
    14   1     0.37  -0.16   0.09    -0.10   0.09   0.05     0.32  -0.31  -0.23
    15   1     0.37  -0.10   0.14     0.03  -0.14   0.01    -0.07  -0.03   0.12
    16   6     0.01  -0.02  -0.01    -0.03   0.00  -0.01    -0.01  -0.02  -0.02
    17   6    -0.01   0.01   0.01     0.01  -0.04   0.04    -0.01  -0.00  -0.00
    18   1     0.12   0.22   0.01    -0.02   0.20   0.44     0.02   0.02  -0.04
    19   1     0.01   0.22  -0.17    -0.09   0.05   0.12    -0.03   0.08  -0.01
    20   1     0.08  -0.04   0.21     0.10  -0.24  -0.34     0.04  -0.05   0.02
    21   1    -0.01   0.03   0.00     0.02   0.02  -0.13    -0.01   0.07  -0.08
    22   1    -0.00  -0.00   0.07     0.05  -0.00  -0.01     0.02  -0.01   0.10
    23   1    -0.00   0.04  -0.06     0.04  -0.02   0.11     0.01   0.05  -0.05
    24   1     0.05  -0.01  -0.00     0.16   0.14   0.05    -0.01  -0.01  -0.00
    25   1    -0.07  -0.05  -0.03     0.00   0.07  -0.05    -0.02  -0.02  -0.01
    26   1     0.05   0.01  -0.01    -0.18  -0.05  -0.11    -0.01  -0.00  -0.00
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1086.6866              1111.3851              1129.0156
 Red. masses --      1.4705                 1.4141                 1.4185
 Frc consts  --      1.0231                 1.0291                 1.0653
 IR Inten    --      1.6984                 2.6691                 2.1166
 RamAct Fr= 1--      1.2071                 5.7029                 0.5557
  Dep-P Fr= 1--      0.4471                 0.3457                 0.7169
  Dep-U Fr= 1--      0.6180                 0.5138                 0.8351
 Alpha2 Fr= 1--      0.0075                 0.0508                 0.0003
 Beta2  Fr= 1--      0.1243                 0.4883                 0.0773
 AlphaG Fr= 1--      0.0217                -0.0505                -0.0024
 Gamma2 Fr= 1--     -0.7483                 0.7947                -0.5631
 Delta2 Fr= 1--     -1.0789                 0.6682                 0.1508
 Raman1 Fr= 1--       4.828                 22.812                  2.223
 ROA1   Fr= 1--    -106.360                 97.677                -49.234
 CID1   Fr= 1--     -22.028                  4.282                -22.149
 Raman2 Fr= 1--       1.492                  5.860                  0.928
 ROA2   Fr= 1--      -9.328                 13.727                -14.721
 CID2   Fr= 1--      -6.253                  2.343                -15.860
 Raman3 Fr= 1--       2.984                 11.720                  1.856
 ROA3   Fr= 1--    -106.360                 97.677                -49.234
 CID3   Fr= 1--     -35.647                  8.334                -26.522
 RC180  Fr= 1--       0.236                  0.028                  0.670
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.02   0.07     0.01  -0.07  -0.02    -0.02  -0.01   0.04
     2   6     0.06  -0.00  -0.05    -0.04   0.02  -0.02     0.03   0.02  -0.03
     3   6     0.03   0.04  -0.02     0.03  -0.05   0.04    -0.03   0.00   0.01
     4   6    -0.04  -0.04   0.00     0.00   0.05  -0.02     0.02   0.00  -0.02
     5   6    -0.05  -0.05  -0.01     0.04   0.11  -0.01     0.03   0.03  -0.08
     6   6    -0.01  -0.02  -0.03     0.03  -0.00   0.03    -0.05   0.07   0.01
     7   6    -0.10  -0.03   0.00     0.00  -0.01   0.01    -0.03  -0.04   0.06
     8   6     0.09   0.04   0.01    -0.04  -0.04  -0.00     0.03  -0.05  -0.01
     9   1    -0.10   0.34   0.01     0.03  -0.08  -0.05     0.04  -0.00  -0.08
    10   1     0.17   0.06   0.16     0.02   0.02   0.03    -0.32   0.11   0.01
    11   1     0.41  -0.20   0.09     0.12  -0.05   0.04     0.21  -0.14   0.05
    12   1    -0.10   0.17  -0.03    -0.01  -0.05   0.06     0.01  -0.04   0.03
    13   1     0.07   0.08  -0.00    -0.01  -0.08   0.01     0.04  -0.07   0.01
    14   1     0.19  -0.10   0.01    -0.16   0.12   0.03    -0.04   0.04   0.02
    15   1    -0.02  -0.08   0.05     0.22   0.03   0.16    -0.17  -0.20   0.39
    16   6    -0.00   0.01   0.02    -0.02  -0.00  -0.02     0.03  -0.04  -0.01
    17   6     0.01   0.02   0.01    -0.02   0.01  -0.01     0.03  -0.04  -0.01
    18   1    -0.28  -0.28  -0.20    -0.14  -0.22  -0.28     0.22   0.28  -0.34
    19   1    -0.20   0.12   0.29    -0.25   0.59   0.04    -0.05   0.08   0.03
    20   1    -0.04  -0.05  -0.31     0.25  -0.40   0.06    -0.16   0.30   0.09
    21   1     0.01  -0.04   0.04     0.01   0.03  -0.08    -0.05   0.08   0.07
    22   1     0.00   0.00  -0.06     0.03  -0.00   0.01    -0.05  -0.01   0.18
    23   1    -0.01  -0.04   0.05     0.02   0.01   0.03    -0.02   0.10  -0.18
    24   1     0.05  -0.01  -0.00    -0.03  -0.05  -0.02    -0.05   0.09   0.03
    25   1    -0.04  -0.03  -0.02    -0.04  -0.05   0.01     0.14   0.12   0.04
    26   1     0.07   0.02  -0.01     0.03   0.01   0.01    -0.16  -0.03  -0.00
                     34                     35                     36
                      A                      A                      A
 Frequencies --   1152.6812              1193.6617              1213.7031
 Red. masses --      1.5978                 1.6600                 1.7645
 Frc consts  --      1.2508                 1.3935                 1.5314
 IR Inten    --      3.7470                 1.4320                 1.8796
 RamAct Fr= 1--      5.8994                 7.4663                 5.5653
  Dep-P Fr= 1--      0.5268                 0.7119                 0.6364
  Dep-U Fr= 1--      0.6900                 0.8317                 0.7778
 Alpha2 Fr= 1--      0.0256                 0.0049                 0.0115
 Beta2  Fr= 1--      0.6785                 1.0350                 0.7214
 AlphaG Fr= 1--     -0.0039                -0.0257                 0.0061
 Gamma2 Fr= 1--     -1.5757                 1.7889                -0.5225
 Delta2 Fr= 1--      0.1221                 0.5182                -0.0184
 Raman1 Fr= 1--      23.597                 29.865                 22.261
 ROA1   Fr= 1--    -147.359                188.315                -50.746
 CID1   Fr= 1--      -6.245                  6.305                 -2.280
 Raman2 Fr= 1--       8.142                 12.420                  8.657
 ROA2   Fr= 1--     -38.793                 38.787                -12.391
 CID2   Fr= 1--      -4.765                  3.123                 -1.431
 Raman3 Fr= 1--      16.283                 24.840                 17.314
 ROA3   Fr= 1--    -147.359                188.315                -50.746
 CID3   Fr= 1--      -9.050                  7.581                 -2.931
 RC180  Fr= 1--       0.380                  0.663                  0.556
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03  -0.02   0.02    -0.02  -0.05   0.02    -0.01   0.00   0.02
     2   6     0.03  -0.00  -0.03    -0.02   0.06   0.01    -0.01  -0.01  -0.01
     3   6    -0.10   0.06  -0.04     0.15  -0.07   0.01    -0.03   0.01   0.01
     4   6     0.06  -0.03   0.02    -0.07   0.03  -0.01     0.01  -0.00  -0.00
     5   6     0.00  -0.01   0.07    -0.01  -0.03   0.07    -0.00   0.05  -0.05
     6   6    -0.08  -0.05  -0.07    -0.03  -0.05  -0.00     0.14  -0.13  -0.07
     7   6    -0.04  -0.01   0.01     0.03  -0.02   0.02    -0.01   0.03   0.02
     8   6    -0.00   0.03  -0.01    -0.06   0.02  -0.05    -0.02   0.01   0.03
     9   1     0.16  -0.31  -0.14    -0.12   0.24   0.03     0.06  -0.08  -0.05
    10   1    -0.29   0.06  -0.04    -0.37   0.11  -0.07    -0.22   0.01  -0.07
    11   1     0.11  -0.09   0.02     0.35  -0.03   0.13     0.16  -0.02   0.04
    12   1     0.17  -0.18  -0.05    -0.16   0.19   0.03     0.03  -0.04   0.01
    13   1    -0.02  -0.02  -0.00    -0.03   0.07  -0.01     0.01  -0.03   0.00
    14   1     0.02  -0.05  -0.05    -0.06   0.05   0.03     0.00   0.00   0.00
    15   1     0.59   0.08  -0.08    -0.13   0.22  -0.42    -0.25  -0.17   0.39
    16   6     0.05   0.03   0.03     0.02   0.02   0.00    -0.07   0.06   0.02
    17   6     0.03   0.04   0.00     0.01   0.02  -0.01    -0.05   0.06   0.04
    18   1     0.11   0.20  -0.01     0.22   0.23  -0.24     0.14   0.24  -0.21
    19   1    -0.05   0.06   0.03     0.08  -0.07  -0.18     0.13  -0.22  -0.06
    20   1     0.10  -0.18  -0.09     0.04  -0.04   0.04    -0.00   0.00   0.05
    21   1    -0.01  -0.10   0.25     0.00  -0.06   0.10     0.09  -0.14  -0.15
    22   1    -0.10   0.01  -0.13    -0.05   0.01  -0.10     0.13   0.01  -0.18
    23   1    -0.07  -0.07  -0.08    -0.04  -0.04  -0.05     0.04  -0.13   0.29
    24   1     0.02  -0.03  -0.01    -0.03  -0.05  -0.02     0.14  -0.13  -0.04
    25   1     0.03  -0.01   0.04     0.03  -0.02   0.05    -0.25  -0.18  -0.10
    26   1     0.15   0.04   0.05     0.10   0.03   0.06     0.21   0.03  -0.06
                     37                     38                     39
                      A                      A                      A
 Frequencies --   1234.4480              1242.7799              1253.3456
 Red. masses --      1.7740                 2.5212                 1.7032
 Frc consts  --      1.5928                 2.2943                 1.5764
 IR Inten    --      3.0845                 1.3219                 4.5013
 RamAct Fr= 1--      3.3332                 1.2357                 5.4531
  Dep-P Fr= 1--      0.7463                 0.3899                 0.1947
  Dep-U Fr= 1--      0.8547                 0.5610                 0.3259
 Alpha2 Fr= 1--      0.0002                 0.0095                 0.0751
 Beta2  Fr= 1--      0.4748                 0.1155                 0.2962
 AlphaG Fr= 1--     -0.0018                -0.0222                 0.0511
 Gamma2 Fr= 1--      0.0964                -1.3379                 1.1944
 Delta2 Fr= 1--      0.6429                -0.3370                -0.9230
 Raman1 Fr= 1--      13.333                  4.943                 21.813
 ROA1   Fr= 1--      29.828               -139.221                 85.122
 CID1   Fr= 1--       2.237                -28.166                  3.902
 Raman2 Fr= 1--       5.698                  1.387                  3.554
 ROA2   Fr= 1--      -2.829                -29.413                 36.049
 CID2   Fr= 1--      -0.496                -21.213                 10.142
 Raman3 Fr= 1--      11.396                  2.773                  7.108
 ROA3   Fr= 1--      29.828               -139.221                 85.122
 CID3   Fr= 1--       2.618                -50.204                 11.975
 RC180  Fr= 1--       0.709                  0.122                 -0.348
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03  -0.02  -0.04     0.05   0.01   0.03     0.00  -0.03   0.01
     2   6    -0.04   0.03  -0.02    -0.05  -0.05  -0.03    -0.04  -0.01  -0.00
     3   6     0.06  -0.03   0.00    -0.10   0.03  -0.01     0.01   0.01  -0.01
     4   6    -0.02   0.02   0.01     0.03  -0.01   0.01     0.01   0.00   0.01
     5   6    -0.05   0.05  -0.01    -0.05  -0.06   0.02    -0.07   0.02   0.06
     6   6    -0.09  -0.13  -0.01     0.13  -0.02   0.25     0.04   0.04  -0.13
     7   6    -0.00   0.02   0.09    -0.02   0.07   0.05     0.06   0.07  -0.03
     8   6     0.06  -0.08  -0.04     0.04  -0.02  -0.08     0.03  -0.13  -0.01
     9   1    -0.05   0.05   0.06     0.04   0.02   0.02     0.01  -0.01  -0.02
    10   1     0.46   0.00   0.18     0.00  -0.05   0.00    -0.23   0.00  -0.09
    11   1    -0.39   0.04  -0.12     0.20  -0.02   0.04     0.28  -0.01   0.09
    12   1    -0.02   0.04  -0.00     0.09  -0.11  -0.01     0.02  -0.01  -0.01
    13   1    -0.05   0.05  -0.01     0.02  -0.06   0.01    -0.01   0.01   0.00
    14   1    -0.03   0.02  -0.00     0.02  -0.02  -0.02    -0.01   0.00  -0.01
    15   1     0.11  -0.05   0.18     0.31   0.13  -0.34     0.23   0.14  -0.16
    16   6     0.04   0.06   0.01    -0.04   0.02  -0.07    -0.03  -0.01   0.03
    17   6     0.03   0.04  -0.01    -0.03   0.00  -0.08    -0.01  -0.02   0.05
    18   1     0.08   0.14  -0.03    -0.01   0.06  -0.38    -0.14  -0.20   0.20
    19   1    -0.09   0.17   0.05    -0.00  -0.01  -0.04    -0.12   0.24   0.04
    20   1    -0.21   0.38   0.06    -0.17   0.35  -0.00    -0.27   0.52   0.24
    21   1     0.03  -0.14   0.17     0.03   0.05  -0.24     0.01  -0.02  -0.03
    22   1    -0.10   0.03  -0.23     0.07   0.00  -0.15     0.08  -0.01   0.09
    23   1    -0.09  -0.14  -0.02     0.01   0.07  -0.06     0.05  -0.01   0.14
    24   1    -0.02  -0.07  -0.02    -0.29  -0.15  -0.07     0.17   0.07   0.03
    25   1     0.07  -0.03   0.09     0.04  -0.09   0.11    -0.08   0.04  -0.10
    26   1     0.15   0.05   0.10    -0.02   0.02   0.14    -0.05  -0.04  -0.14
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1281.4980              1298.6113              1340.7720
 Red. masses --      1.4709                 1.9056                 1.6557
 Frc consts  --      1.4232                 1.8934                 1.7536
 IR Inten    --      0.2336                 2.6780                 1.1064
 RamAct Fr= 1--      0.2257                 8.4611                 5.7306
  Dep-P Fr= 1--      0.4006                 0.4179                 0.7104
  Dep-U Fr= 1--      0.5720                 0.5895                 0.8307
 Alpha2 Fr= 1--      0.0017                 0.0587                 0.0039
 Beta2  Fr= 1--      0.0215                 0.8312                 0.7934
 AlphaG Fr= 1--     -0.0021                 0.0068                -0.0017
 Gamma2 Fr= 1--      0.1600                 1.3387                -0.0663
 Delta2 Fr= 1--      0.0869                 0.2351                -0.9304
 Raman1 Fr= 1--       0.903                 33.844                 22.922
 ROA1   Fr= 1--      18.140                136.039                -36.139
 CID1   Fr= 1--      20.092                  4.020                 -1.577
 Raman2 Fr= 1--       0.258                  9.975                  9.520
 ROA2   Fr= 1--       3.145                 30.249                  5.852
 CID2   Fr= 1--      12.180                  3.032                  0.615
 Raman3 Fr= 1--       0.516                 19.950                 19.041
 ROA3   Fr= 1--      18.140                136.039                -36.139
 CID3   Fr= 1--      35.126                  6.819                 -1.898
 RC180  Fr= 1--       0.144                  0.179                  0.661
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.06   0.06   0.00    -0.00  -0.02   0.02     0.00  -0.04  -0.02
     2   6     0.05  -0.01   0.01    -0.01  -0.00   0.03     0.12   0.04   0.06
     3   6     0.03   0.03   0.03     0.01  -0.01   0.00     0.01  -0.07  -0.03
     4   6    -0.02  -0.02  -0.02    -0.00   0.01  -0.00     0.01   0.02   0.01
     5   6     0.05  -0.01   0.04     0.01   0.03  -0.07    -0.07   0.02  -0.02
     6   6     0.04  -0.03   0.03    -0.09  -0.10   0.12     0.08   0.03   0.02
     7   6    -0.09  -0.04  -0.06     0.05   0.07  -0.16    -0.09  -0.06  -0.06
     8   6     0.05  -0.06  -0.02     0.02  -0.01   0.04     0.04  -0.00   0.02
     9   1     0.17  -0.39  -0.13    -0.02   0.07  -0.01    -0.26   0.44   0.13
    10   1    -0.01   0.01   0.01    -0.33   0.01  -0.13    -0.32   0.09  -0.07
    11   1    -0.08   0.02  -0.03     0.37   0.05   0.13    -0.35   0.09  -0.08
    12   1    -0.06   0.06   0.01    -0.01  -0.00   0.01    -0.00   0.02   0.01
    13   1     0.07   0.01   0.00    -0.02  -0.01  -0.00    -0.10  -0.00  -0.01
    14   1     0.05  -0.00   0.05    -0.01   0.01   0.00    -0.08   0.02  -0.05
    15   1    -0.42   0.14  -0.26    -0.06  -0.16   0.30     0.43  -0.03   0.11
    16   6    -0.01   0.00  -0.01     0.03   0.03  -0.03    -0.02  -0.01   0.01
    17   6    -0.02   0.02  -0.01     0.03   0.04  -0.04    -0.02   0.00  -0.00
    18   1     0.14   0.30   0.27    -0.15  -0.17   0.56     0.14   0.28   0.18
    19   1    -0.24   0.43   0.15     0.02   0.02   0.04    -0.09   0.07   0.14
    20   1    -0.04   0.05  -0.04    -0.05   0.06   0.00    -0.01   0.00  -0.05
    21   1     0.01   0.00  -0.05     0.01  -0.03   0.06     0.02   0.04  -0.11
    22   1     0.03  -0.00  -0.03    -0.11   0.02  -0.11     0.06  -0.02  -0.03
    23   1     0.01   0.01   0.00    -0.08  -0.07  -0.11     0.02   0.06   0.00
    24   1    -0.02  -0.06  -0.02    -0.15  -0.09  -0.03    -0.02  -0.03  -0.01
    25   1    -0.04  -0.06   0.01     0.06  -0.09   0.11    -0.03  -0.01  -0.02
    26   1     0.05   0.02   0.01     0.02   0.05   0.14     0.00  -0.00  -0.03
                     43                     44                     45
                      A                      A                      A
 Frequencies --   1361.5675              1372.1529              1402.8340
 Red. masses --      1.8975                 1.6416                 1.2610
 Frc consts  --      2.0726                 1.8211                 1.4621
 IR Inten    --      2.8217                 1.3475                 9.2935
 RamAct Fr= 1--      9.8437                 2.1627                 0.1601
  Dep-P Fr= 1--      0.2456                 0.7091                 0.4056
  Dep-U Fr= 1--      0.3944                 0.8298                 0.5771
 Alpha2 Fr= 1--      0.1181                 0.0015                 0.0012
 Beta2  Fr= 1--      0.6470                 0.2991                 0.0154
 AlphaG Fr= 1--      0.0811                -0.0052                -0.0046
 Gamma2 Fr= 1--      1.7637                -0.7961                 0.1078
 Delta2 Fr= 1--      1.0944                -0.5711                -0.0053
 Raman1 Fr= 1--      39.375                  8.651                  0.640
 ROA1   Fr= 1--     204.338                -94.703                 10.173
 CID1   Fr= 1--       5.190                -10.947                 15.890
 Raman2 Fr= 1--       7.764                  3.589                  0.185
 ROA2   Fr= 1--      33.574                -14.538                  2.629
 CID2   Fr= 1--       4.324                 -4.050                 14.230
 Raman3 Fr= 1--      15.528                  7.179                  0.369
 ROA3   Fr= 1--     204.338                -94.703                 10.173
 CID3   Fr= 1--      13.159                -13.192                 27.534
 RC180  Fr= 1--      -0.211                  0.660                  0.154
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.06   0.00  -0.02    -0.08   0.03  -0.02     0.00  -0.00  -0.00
     2   6    -0.07   0.02  -0.01     0.14  -0.06   0.02    -0.00   0.01   0.00
     3   6     0.16   0.03   0.08     0.09   0.02   0.04     0.00  -0.00   0.00
     4   6    -0.04  -0.01  -0.02    -0.01  -0.03  -0.02    -0.01   0.01   0.00
     5   6    -0.15  -0.01  -0.07    -0.03  -0.01  -0.02    -0.01  -0.00  -0.01
     6   6     0.04   0.05   0.02    -0.02  -0.02   0.02     0.02   0.00   0.03
     7   6    -0.00  -0.05  -0.03     0.01   0.09   0.05    -0.01  -0.01  -0.01
     8   6     0.01   0.04   0.04    -0.00  -0.00  -0.01     0.00   0.00   0.01
     9   1     0.21  -0.48  -0.16     0.07  -0.26  -0.10    -0.01   0.02   0.00
    10   1     0.23  -0.03   0.04    -0.44  -0.01  -0.16     0.01  -0.01  -0.02
    11   1     0.23  -0.05   0.08    -0.43   0.01  -0.16     0.02  -0.01   0.01
    12   1    -0.10   0.10   0.01    -0.09   0.13   0.02     0.02  -0.04  -0.01
    13   1     0.08   0.11  -0.02     0.01   0.11  -0.04     0.03  -0.03   0.02
    14   1     0.02   0.05   0.13    -0.04   0.05   0.10     0.04  -0.02  -0.02
    15   1     0.49  -0.12   0.16     0.05  -0.03   0.02     0.04  -0.01   0.00
    16   6    -0.01  -0.02   0.01     0.00   0.01  -0.02    -0.01   0.02  -0.11
    17   6     0.00  -0.02  -0.01     0.01   0.00  -0.01    -0.08  -0.03  -0.03
    18   1     0.16   0.17   0.13    -0.32  -0.37  -0.32     0.03   0.04   0.03
    19   1     0.09  -0.22   0.02     0.07  -0.03  -0.09     0.03   0.02  -0.02
    20   1    -0.00  -0.03  -0.05    -0.06   0.05  -0.05    -0.04  -0.00  -0.07
    21   1     0.01   0.04  -0.08    -0.01  -0.03   0.05    -0.15  -0.14   0.36
    22   1     0.04  -0.01  -0.01    -0.02   0.02   0.03     0.00   0.07   0.42
    23   1     0.01   0.07  -0.04     0.01  -0.05   0.04     0.18  -0.20   0.37
    24   1    -0.04   0.03   0.01    -0.02  -0.01  -0.01     0.30   0.17  -0.04
    25   1     0.02   0.04  -0.02     0.02  -0.03   0.03     0.22   0.21   0.21
    26   1    -0.03  -0.01  -0.00    -0.03   0.01   0.04     0.35  -0.01   0.14
                     46                     47                     48
                      A                      A                      A
 Frequencies --   1413.4226              1421.7239              1477.6208
 Red. masses --      1.2997                 1.2194                 1.0453
 Frc consts  --      1.5298                 1.4522                 1.3447
 IR Inten    --      2.8448                 6.8577                 7.7361
 RamAct Fr= 1--      9.3278                 0.2454                 5.4105
  Dep-P Fr= 1--      0.3569                 0.0560                 0.7232
  Dep-U Fr= 1--      0.5261                 0.1061                 0.8394
 Alpha2 Fr= 1--      0.0801                 0.0048                 0.0025
 Beta2  Fr= 1--      0.8178                 0.0043                 0.7569
 AlphaG Fr= 1--     -0.0106                -0.0034                -0.0361
 Gamma2 Fr= 1--      0.2884                 0.0131                -0.0964
 Delta2 Fr= 1--      0.2321                 0.0124                 0.1468
 Raman1 Fr= 1--      37.311                  0.982                 21.642
 ROA1   Fr= 1--      35.109                  1.659                 -4.556
 CID1   Fr= 1--       0.941                  1.690                 -0.211
 Raman2 Fr= 1--       9.814                  0.052                  9.083
 ROA2   Fr= 1--       5.064                  0.216                 -3.487
 CID2   Fr= 1--       0.516                  4.141                 -0.384
 Raman3 Fr= 1--      19.628                  0.104                 18.166
 ROA3   Fr= 1--      35.109                  1.659                 -4.556
 CID3   Fr= 1--       1.789                 15.921                 -0.251
 RC180  Fr= 1--       0.052                 -0.788                  0.679
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.00  -0.01    -0.00   0.00   0.00     0.00  -0.00  -0.00
     2   6     0.02  -0.00   0.01     0.01  -0.01   0.00    -0.00   0.00   0.00
     3   6     0.04  -0.01   0.01    -0.00  -0.00   0.00     0.00   0.01  -0.02
     4   6    -0.12   0.10   0.00     0.00  -0.00  -0.00     0.02   0.02  -0.05
     5   6    -0.01   0.00  -0.00     0.01   0.00  -0.00    -0.00  -0.00   0.01
     6   6    -0.01  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     7   6     0.00   0.01   0.00     0.01   0.01  -0.00    -0.00  -0.00   0.00
     8   6    -0.00  -0.00  -0.00    -0.00  -0.01   0.01     0.00   0.00   0.00
     9   1    -0.01  -0.02  -0.01     0.00  -0.01  -0.00    -0.00   0.00   0.01
    10   1    -0.06   0.01  -0.02    -0.04   0.00   0.00     0.01  -0.01  -0.02
    11   1    -0.06   0.01  -0.02    -0.00   0.02  -0.01    -0.01  -0.02   0.00
    12   1     0.21  -0.45  -0.12    -0.01  -0.00   0.01    -0.22  -0.30   0.61
    13   1     0.36  -0.40   0.22    -0.01  -0.00  -0.00    -0.46  -0.02  -0.14
    14   1     0.53  -0.21  -0.18     0.00   0.00   0.01     0.44   0.02   0.25
    15   1     0.01  -0.00   0.01    -0.04  -0.01   0.02     0.00   0.01  -0.01
    16   6    -0.00  -0.00   0.01     0.00  -0.02   0.09    -0.00   0.00  -0.00
    17   6     0.01   0.00   0.00    -0.09  -0.04  -0.03     0.00   0.00   0.00
    18   1    -0.02  -0.03  -0.02    -0.04  -0.05  -0.00     0.00   0.00   0.00
    19   1     0.01   0.00  -0.01     0.05   0.04  -0.06     0.00  -0.00  -0.00
    20   1    -0.01   0.00  -0.01    -0.05  -0.00  -0.07    -0.00   0.00  -0.00
    21   1     0.01   0.00  -0.03     0.12   0.11  -0.29    -0.00  -0.01   0.01
    22   1     0.01  -0.01  -0.04     0.03  -0.07  -0.35     0.01   0.00   0.01
    23   1    -0.02   0.03  -0.04    -0.13   0.20  -0.30     0.00   0.01  -0.00
    24   1    -0.02  -0.01   0.00     0.36   0.20  -0.04    -0.01   0.00   0.00
    25   1    -0.02  -0.02  -0.01     0.26   0.29   0.22    -0.01  -0.00  -0.01
    26   1    -0.03   0.00  -0.01     0.43  -0.02   0.12    -0.00   0.00   0.00
                     49                     50                     51
                      A                      A                      A
 Frequencies --   1479.4212              1483.9079              1488.2273
 Red. masses --      1.0845                 1.0540                 1.0597
 Frc consts  --      1.3985                 1.3674                 1.3828
 IR Inten    --      3.6327                 3.4684                 4.3720
 RamAct Fr= 1--     22.9495                 0.9793                12.9961
  Dep-P Fr= 1--      0.5433                 0.5706                 0.4602
  Dep-U Fr= 1--      0.7041                 0.7266                 0.6303
 Alpha2 Fr= 1--      0.0911                 0.0033                 0.0764
 Beta2  Fr= 1--      2.6930                 0.1186                 1.3653
 AlphaG Fr= 1--      0.0703                -0.0063                -0.0566
 Gamma2 Fr= 1--     -5.1827                 0.9680                 2.8380
 Delta2 Fr= 1--     -4.1377                 0.3204                 2.0047
 Raman1 Fr= 1--      91.798                  3.917                 51.984
 ROA1   Fr= 1--    -629.945                103.183                336.603
 CID1   Fr= 1--      -6.862                 26.341                  6.475
 Raman2 Fr= 1--      32.316                  1.423                 16.383
 ROA2   Fr= 1--     -91.282                 20.669                 52.075
 CID2   Fr= 1--      -2.825                 14.524                  3.179
 Raman3 Fr= 1--      64.632                  2.846                 32.766
 ROA3   Fr= 1--    -629.945                103.183                336.603
 CID3   Fr= 1--      -9.747                 36.252                 10.273
 RC180  Fr= 1--       0.408                  0.453                  0.261
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.01   0.00     0.00  -0.01  -0.00     0.01  -0.03  -0.01
     2   6     0.00  -0.07  -0.03    -0.01   0.00  -0.00     0.00   0.01   0.01
     3   6     0.01  -0.01  -0.00    -0.00   0.00  -0.00    -0.02   0.01  -0.00
     4   6    -0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.04  -0.02  -0.02
     5   6    -0.00   0.00  -0.00     0.00   0.00   0.00     0.01   0.00   0.00
     6   6    -0.00  -0.00   0.00    -0.01  -0.00  -0.02    -0.00  -0.00   0.00
     7   6     0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
     8   6    -0.00   0.01  -0.02    -0.00  -0.01   0.02     0.00  -0.00  -0.01
     9   1     0.02  -0.04  -0.01    -0.01   0.01   0.00    -0.05   0.08   0.02
    10   1    -0.14   0.25   0.55     0.01   0.01   0.03    -0.01  -0.01  -0.05
    11   1     0.10   0.61  -0.11     0.01   0.02  -0.00    -0.03  -0.04   0.01
    12   1    -0.02  -0.00   0.03     0.01  -0.01  -0.01     0.19  -0.36  -0.13
    13   1    -0.03  -0.02  -0.00     0.01   0.03  -0.00     0.31   0.53  -0.05
    14   1     0.02  -0.01  -0.01    -0.01   0.01   0.02     0.06   0.25   0.54
    15   1     0.01  -0.00   0.01    -0.01   0.00   0.01    -0.03   0.01  -0.01
    16   6     0.01  -0.01  -0.01    -0.03  -0.03  -0.01     0.01  -0.01  -0.00
    17   6    -0.01   0.00   0.01     0.01   0.02  -0.03    -0.01   0.01   0.01
    18   1    -0.00  -0.02  -0.01     0.01  -0.00   0.01     0.01   0.01   0.01
    19   1    -0.07  -0.09   0.10     0.09   0.08  -0.12    -0.02  -0.01   0.02
    20   1     0.08  -0.00   0.12    -0.09  -0.01  -0.14     0.02   0.00   0.03
    21   1    -0.11   0.20   0.07    -0.18   0.03   0.30    -0.04   0.11  -0.00
    22   1    -0.13  -0.01  -0.09     0.34  -0.06  -0.23    -0.09  -0.00  -0.04
    23   1     0.11   0.04   0.12     0.28   0.46   0.06     0.03  -0.01   0.04
    24   1     0.02  -0.13  -0.03     0.24  -0.01  -0.06     0.03  -0.14  -0.03
    25   1     0.05   0.08   0.04     0.01  -0.35   0.25     0.05   0.05   0.05
    26   1     0.04  -0.02  -0.16    -0.27   0.04   0.20     0.02  -0.01  -0.14
                     52                     53                     54
                      A                      A                      A
 Frequencies --   1493.6754              1500.4946              1514.7652
 Red. masses --      1.0496                 1.0785                 1.0686
 Frc consts  --      1.3798                 1.4307                 1.4446
 IR Inten    --      6.3682                 0.4811                 8.2523
 RamAct Fr= 1--      2.4384                 6.0989                 4.1979
  Dep-P Fr= 1--      0.6442                 0.6747                 0.7373
  Dep-U Fr= 1--      0.7836                 0.8058                 0.8488
 Alpha2 Fr= 1--      0.0047                 0.0081                 0.0009
 Beta2  Fr= 1--      0.3184                 0.8191                 0.5938
 AlphaG Fr= 1--     -0.0144                 0.0083                -0.0013
 Gamma2 Fr= 1--      0.6400                -0.8133                 0.2243
 Delta2 Fr= 1--      0.3654                 0.2230                -0.3363
 Raman1 Fr= 1--       9.754                 24.395                 16.792
 ROA1   Fr= 1--      73.138                -70.944                 10.771
 CID1   Fr= 1--       7.499                 -2.908                  0.641
 Raman2 Fr= 1--       3.821                  9.829                  7.126
 ROA2   Fr= 1--      12.438                -21.304                  8.074
 CID2   Fr= 1--       3.255                 -2.167                  1.133
 Raman3 Fr= 1--       7.643                 19.657                 14.252
 ROA3   Fr= 1--      73.138                -70.944                 10.771
 CID3   Fr= 1--       9.570                 -3.609                  0.756
 RC180  Fr= 1--       0.567                  0.612                  0.698
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.01  -0.00    -0.00   0.00   0.00    -0.00   0.01   0.00
     2   6     0.00  -0.02  -0.01     0.01   0.01   0.01     0.00  -0.00  -0.00
     3   6    -0.01  -0.00  -0.00     0.01   0.00   0.00     0.01  -0.00  -0.00
     4   6    -0.01  -0.01  -0.01    -0.00  -0.00   0.00    -0.00   0.00  -0.00
     5   6     0.00   0.00   0.01     0.00  -0.00  -0.01     0.00  -0.01  -0.01
     6   6     0.01  -0.00  -0.01    -0.03  -0.03   0.02    -0.01   0.02  -0.00
     7   6    -0.00  -0.01  -0.00    -0.00   0.02  -0.00    -0.00   0.00  -0.00
     8   6    -0.00  -0.00   0.01     0.00   0.01  -0.04     0.00   0.02  -0.05
     9   1    -0.01   0.02   0.01     0.00  -0.01  -0.00     0.01  -0.01  -0.00
    10   1    -0.06   0.11   0.22     0.00  -0.04  -0.10    -0.01   0.01   0.01
    11   1     0.03   0.25  -0.05    -0.03  -0.10   0.01    -0.00   0.02  -0.01
    12   1     0.05  -0.10  -0.04    -0.00   0.02  -0.01     0.00  -0.01  -0.00
    13   1     0.08   0.15  -0.02     0.00  -0.01   0.00     0.01   0.02  -0.00
    14   1     0.01   0.07   0.15    -0.01  -0.00  -0.01     0.00   0.01   0.02
    15   1    -0.01   0.01   0.00    -0.02  -0.02   0.01     0.01  -0.01  -0.01
    16   6    -0.02   0.02   0.00    -0.03  -0.01  -0.01    -0.01   0.02   0.01
    17   6     0.02  -0.03  -0.02     0.00  -0.02   0.02    -0.02   0.02  -0.02
    18   1     0.01   0.01   0.00    -0.03  -0.02   0.00    -0.01  -0.01   0.00
    19   1     0.01   0.04  -0.02    -0.19  -0.17   0.24    -0.25  -0.24   0.32
    20   1    -0.02  -0.01  -0.03     0.18   0.02   0.29     0.24   0.01   0.37
    21   1     0.11  -0.28  -0.03    -0.09  -0.14   0.25     0.16  -0.29  -0.10
    22   1     0.21   0.01   0.11     0.39  -0.04  -0.14     0.15   0.02   0.17
    23   1    -0.10  -0.02  -0.11     0.17   0.36  -0.03    -0.18  -0.09  -0.16
    24   1    -0.17   0.50   0.12    -0.24   0.02   0.05     0.34  -0.08  -0.09
    25   1    -0.19  -0.08  -0.26     0.00   0.31  -0.23     0.10  -0.24   0.32
    26   1     0.04   0.04   0.46     0.27  -0.03  -0.15    -0.21   0.02   0.07
                     55                     56                     57
                      A                      A                      A
 Frequencies --   1518.9781              1722.3592              3000.3474
 Red. masses --      1.0613                 6.5420                 1.0596
 Frc consts  --      1.4428                11.4342                 5.6199
 IR Inten    --      4.6538                 1.7235                45.9987
 RamAct Fr= 1--      3.9638                48.0227               192.1286
  Dep-P Fr= 1--      0.5924                 0.1260                 0.1479
  Dep-U Fr= 1--      0.7441                 0.2238                 0.2578
 Alpha2 Fr= 1--      0.0116                 0.7886                 2.9856
 Beta2  Fr= 1--      0.4916                 1.7909                 8.2539
 AlphaG Fr= 1--     -0.0105                 0.0367                 0.1925
 Gamma2 Fr= 1--     -1.0812                -0.8051                -2.8515
 Delta2 Fr= 1--     -0.0367                -0.4039                -1.1737
 Raman1 Fr= 1--      15.855                192.091                768.514
 ROA1   Fr= 1--    -104.966                -90.212               -311.297
 CID1   Fr= 1--      -6.620                 -0.470                 -0.405
 Raman2 Fr= 1--       5.899                 21.491                 99.046
 ROA2   Fr= 1--     -25.655                -16.090                -59.046
 CID2   Fr= 1--      -4.349                 -0.749                 -0.596
 Raman3 Fr= 1--      11.797                 42.982                198.093
 ROA3   Fr= 1--    -104.966                -90.212               -311.297
 CID3   Fr= 1--      -8.898                 -2.099                 -1.571
 RC180  Fr= 1--       0.488                 -0.552                 -0.484
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00   0.00     0.05  -0.43  -0.19     0.00  -0.00   0.00
     2   6     0.00   0.01   0.01    -0.00   0.04   0.02     0.01  -0.06  -0.04
     3   6     0.00   0.00   0.00    -0.01   0.47   0.22     0.00   0.00   0.00
     4   6    -0.00   0.00   0.00     0.03  -0.05  -0.02     0.00  -0.00  -0.00
     5   6    -0.00   0.00  -0.00     0.01  -0.05  -0.02     0.00  -0.00  -0.00
     6   6     0.02  -0.02  -0.01    -0.00   0.00   0.01    -0.00   0.00  -0.00
     7   6    -0.00   0.01   0.00     0.00  -0.01  -0.01    -0.01   0.01  -0.00
     8   6     0.00   0.01  -0.04     0.00   0.01  -0.00     0.00   0.00  -0.00
     9   1     0.00  -0.00  -0.00    -0.36   0.23  -0.02    -0.03  -0.01  -0.02
    10   1     0.02  -0.06  -0.13    -0.17   0.10   0.07     0.14   0.54  -0.27
    11   1    -0.03  -0.14   0.02    -0.13   0.15  -0.04    -0.21   0.12   0.73
    12   1    -0.01   0.01   0.01    -0.09   0.17   0.05    -0.00  -0.00  -0.00
    13   1    -0.01  -0.02   0.00     0.05  -0.21   0.04    -0.00   0.00   0.00
    14   1     0.01  -0.01  -0.02     0.11  -0.13  -0.13     0.00   0.00  -0.00
    15   1    -0.01  -0.00   0.00    -0.27  -0.01  -0.11    -0.00   0.01   0.00
    16   6     0.02  -0.03   0.00     0.00   0.00   0.00    -0.00   0.00   0.00
    17   6     0.00  -0.01  -0.02    -0.00  -0.00  -0.00     0.00  -0.00   0.00
    18   1    -0.01   0.01  -0.01     0.03   0.04   0.03     0.09  -0.07   0.00
    19   1    -0.17  -0.15   0.22    -0.02  -0.04   0.03     0.00  -0.00   0.00
    20   1     0.15   0.02   0.25     0.03  -0.00   0.03    -0.00  -0.00   0.00
    21   1    -0.16   0.46  -0.00     0.02  -0.01  -0.03    -0.02  -0.01  -0.01
    22   1    -0.37  -0.02  -0.19    -0.00   0.00  -0.00     0.00   0.02  -0.00
    23   1     0.14  -0.03   0.21    -0.02  -0.01  -0.02     0.02  -0.01  -0.01
    24   1     0.04   0.34   0.05     0.00  -0.01  -0.00     0.00   0.00  -0.00
    25   1    -0.10  -0.15  -0.06     0.01   0.01   0.01     0.00   0.00  -0.00
    26   1    -0.01   0.04   0.37     0.00  -0.00  -0.01    -0.00   0.00  -0.00
                     58                     59                     60
                      A                      A                      A
 Frequencies --   3008.6110              3017.9762              3021.8101
 Red. masses --      1.0378                 1.1009                 1.0401
 Frc consts  --      5.5349                 5.9080                 5.5957
 IR Inten    --     31.9145                24.2602                17.0159
 RamAct Fr= 1--    247.2500               116.2887                18.2457
  Dep-P Fr= 1--      0.0474                 0.6766                 0.4408
  Dep-U Fr= 1--      0.0904                 0.8071                 0.6119
 Alpha2 Fr= 1--      4.9147                 0.1509                 0.1160
 Beta2  Fr= 1--      3.7267                15.6424                 1.8607
 AlphaG Fr= 1--     -0.1788                 0.4389                 0.0046
 Gamma2 Fr= 1--     -1.3133                 9.6361                -1.1195
 Delta2 Fr= 1--      1.8419                -0.9895                 0.9628
 Raman1 Fr= 1--     989.000                465.155                 72.983
 ROA1   Fr= 1--     -67.138                893.399                -76.663
 CID1   Fr= 1--      -0.068                  1.921                 -1.050
 Raman2 Fr= 1--      44.720                187.709                 22.329
 ROA2   Fr= 1--     -46.254                239.183                -34.570
 CID2   Fr= 1--      -1.034                  1.274                 -1.548
 Raman3 Fr= 1--      89.441                375.418                 44.658
 ROA3   Fr= 1--     -67.138                893.399                -76.663
 CID3   Fr= 1--      -0.751                  2.380                 -1.717
 RC180  Fr= 1--      -0.819                  0.614                  0.224
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
     2   6    -0.00  -0.00  -0.00    -0.03  -0.05   0.07    -0.00   0.00   0.00
     3   6    -0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
     4   6     0.02  -0.05  -0.01    -0.00  -0.00   0.00     0.00  -0.00  -0.00
     5   6    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
     6   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
     7   6     0.00  -0.00   0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
     8   6     0.00   0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
     9   1     0.01   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    10   1     0.00  -0.00   0.00     0.16   0.69  -0.30     0.00   0.01  -0.00
    11   1     0.00  -0.00  -0.00     0.17  -0.12  -0.59     0.01  -0.01  -0.04
    12   1    -0.30  -0.14  -0.18     0.00   0.00   0.00    -0.00  -0.00  -0.00
    13   1    -0.15   0.12   0.60     0.00  -0.00  -0.00    -0.00   0.00   0.01
    14   1     0.19   0.57  -0.30     0.00   0.00  -0.00     0.00   0.00  -0.00
    15   1     0.00  -0.04  -0.02     0.00   0.00   0.00    -0.00  -0.00  -0.00
    16   6     0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.02  -0.02   0.03
    17   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.03   0.02  -0.01
    18   1    -0.00   0.00   0.00     0.02  -0.01  -0.00    -0.01   0.00   0.00
    19   1    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.01   0.00   0.01
    20   1    -0.00  -0.00   0.00    -0.01  -0.01   0.00    -0.01  -0.00   0.00
    21   1     0.00   0.00   0.00     0.02   0.01   0.01    -0.21  -0.08  -0.08
    22   1    -0.00  -0.01   0.00    -0.00  -0.02   0.00     0.02   0.53  -0.05
    23   1    -0.00   0.00   0.00    -0.03   0.02   0.02     0.40  -0.22  -0.26
    24   1    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.02   0.05  -0.21
    25   1    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.31   0.16   0.22
    26   1    -0.00  -0.01   0.00    -0.00  -0.01   0.00     0.00  -0.40   0.05
                     61                     62                     63
                      A                      A                      A
 Frequencies --   3028.4016              3047.1656              3053.5525
 Red. masses --      1.0401                 1.0989                 1.0846
 Frc consts  --      5.6204                 6.0119                 5.9583
 IR Inten    --     61.0392                20.3318                62.6711
 RamAct Fr= 1--    304.8955                84.3576               164.6309
  Dep-P Fr= 1--      0.0296                 0.7422                 0.2703
  Dep-U Fr= 1--      0.0576                 0.8520                 0.4256
 Alpha2 Fr= 1--      6.3203                 0.0112                 1.8421
 Beta2  Fr= 1--      2.9259                11.9792                11.6768
 AlphaG Fr= 1--      0.1203                -0.2069                 0.4099
 Gamma2 Fr= 1--      2.9919                -2.8625                 9.3450
 Delta2 Fr= 1--      0.3061                -2.4252                 5.1310
 Raman1 Fr= 1--    1219.582                337.430                658.524
 ROA1   Fr= 1--     297.016               -352.411               1061.317
 CID1   Fr= 1--       0.244                 -1.044                  1.612
 Raman2 Fr= 1--      35.111                143.750                140.121
 ROA2   Fr= 1--      69.356                -49.299                183.233
 CID2   Fr= 1--       1.975                 -0.343                  1.308
 Raman3 Fr= 1--      70.223                287.500                280.243
 ROA3   Fr= 1--     297.016               -352.411               1061.317
 CID3   Fr= 1--       4.230                 -1.226                  3.787
 RC180  Fr= 1--      -0.885                  0.704                 -0.149
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
     2   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.01   0.00
     3   6    -0.00   0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
     4   6     0.00  -0.00  -0.00     0.03   0.04  -0.08    -0.00  -0.00   0.00
     5   6     0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00   0.00
     6   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
     7   6     0.01  -0.00  -0.00    -0.00   0.00  -0.00    -0.07   0.05  -0.00
     8   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00   0.01
     9   1     0.00   0.00   0.00     0.00   0.00  -0.00     0.01   0.00   0.01
    10   1     0.00   0.02  -0.01     0.00   0.00  -0.00    -0.02  -0.08   0.04
    11   1     0.01  -0.01  -0.03     0.00  -0.00  -0.00     0.02  -0.01  -0.08
    12   1    -0.00  -0.00  -0.00    -0.01   0.00  -0.03     0.00   0.00   0.00
    13   1    -0.00   0.00   0.01    -0.16   0.17   0.68    -0.00   0.00   0.00
    14   1     0.00   0.00  -0.00    -0.19  -0.60   0.29     0.00   0.01  -0.00
    15   1    -0.00  -0.05  -0.02     0.00  -0.01  -0.00    -0.00  -0.01  -0.01
    16   6    -0.01  -0.02   0.03     0.00  -0.00  -0.00    -0.00  -0.00   0.00
    17   6    -0.04  -0.02   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    18   1    -0.07   0.05  -0.00     0.00  -0.00   0.00     0.78  -0.56   0.02
    19   1    -0.02  -0.01  -0.02    -0.00  -0.00  -0.00    -0.11  -0.03  -0.09
    20   1     0.02   0.02  -0.01     0.00   0.00  -0.00     0.11   0.08  -0.06
    21   1    -0.16  -0.06  -0.07     0.01   0.00   0.00    -0.02  -0.01  -0.01
    22   1     0.02   0.41  -0.04     0.00   0.01  -0.00     0.00   0.03  -0.00
    23   1     0.31  -0.17  -0.20    -0.02   0.01   0.01     0.03  -0.02  -0.02
    24   1     0.03  -0.06   0.28    -0.00   0.00  -0.00     0.01  -0.01   0.03
    25   1     0.40  -0.21  -0.28    -0.00   0.00   0.00     0.00   0.00  -0.00
    26   1    -0.00   0.50  -0.06    -0.00  -0.00   0.00     0.00   0.06  -0.01
                     64                     65                     66
                      A                      A                      A
 Frequencies --   3064.3729              3069.4316              3074.6471
 Red. masses --      1.0818                 1.1008                 1.0691
 Frc consts  --      5.9850                 6.1105                 5.9546
 IR Inten    --     46.0989                 1.7060                32.9305
 RamAct Fr= 1--     72.2782                23.0896               247.7175
  Dep-P Fr= 1--      0.5388                 0.7498                 0.0166
  Dep-U Fr= 1--      0.7003                 0.8570                 0.0327
 Alpha2 Fr= 1--      0.2939                 0.0001                 5.2951
 Beta2  Fr= 1--      8.4358                 3.2979                 1.3485
 AlphaG Fr= 1--      0.0581                 0.0019                -1.1754
 Gamma2 Fr= 1--    -16.5676                 8.4526                -5.3843
 Delta2 Fr= 1--    -10.0490                 4.6628                 0.1508
 Raman1 Fr= 1--     289.113                 92.358                990.870
 ROA1   Fr= 1--   -1912.053                960.658               -512.069
 CID1   Fr= 1--      -6.614                 10.401                 -0.517
 Raman2 Fr= 1--     101.230                 39.575                 16.182
 ROA2   Fr= 1--    -317.229                165.560               -130.430
 CID2   Fr= 1--      -3.134                  4.183                 -8.060
 Raman3 Fr= 1--     202.460                 79.150                 32.364
 ROA3   Fr= 1--   -1912.053                960.658               -512.069
 CID3   Fr= 1--      -9.444                 12.137                -15.822
 RC180  Fr= 1--       0.401                  0.714                 -0.935
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
     2   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
     3   6     0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
     4   6     0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
     5   6    -0.00  -0.07  -0.04    -0.00   0.00   0.00    -0.00   0.03   0.01
     6   6    -0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
     7   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.01  -0.01  -0.00
     8   6    -0.01  -0.01   0.02     0.00   0.00  -0.00    -0.02  -0.03   0.05
     9   1     0.01   0.00   0.01     0.00   0.00   0.00    -0.01  -0.00  -0.01
    10   1     0.00   0.00  -0.00    -0.00  -0.01   0.00     0.01   0.02  -0.01
    11   1     0.00   0.00   0.00    -0.00   0.00   0.01    -0.00   0.00   0.02
    12   1    -0.05  -0.02  -0.03    -0.00  -0.00  -0.00     0.01   0.00   0.01
    13   1    -0.01   0.00   0.02     0.00  -0.00  -0.01     0.00  -0.00  -0.01
    14   1     0.00   0.01  -0.01     0.00   0.01  -0.01    -0.00  -0.00   0.00
    15   1    -0.01   0.81   0.41     0.00  -0.05  -0.03     0.00  -0.33  -0.16
    16   6     0.00  -0.00   0.00     0.03  -0.07  -0.02     0.00  -0.00  -0.00
    17   6    -0.00   0.01  -0.00    -0.02   0.04   0.01     0.01  -0.00  -0.01
    18   1    -0.05   0.04  -0.00     0.03  -0.02   0.00    -0.15   0.11  -0.00
    19   1    -0.17  -0.05  -0.14     0.02   0.01   0.01    -0.31  -0.09  -0.27
    20   1     0.23   0.16  -0.13    -0.02  -0.02   0.01     0.58   0.41  -0.33
    21   1    -0.01  -0.01  -0.01     0.02  -0.02  -0.00     0.00  -0.00  -0.00
    22   1     0.00   0.04  -0.00     0.04   0.61  -0.07     0.00   0.03  -0.00
    23   1    -0.01   0.00   0.00    -0.47   0.24   0.32    -0.06   0.03   0.04
    24   1     0.01  -0.01   0.04    -0.01   0.01  -0.01     0.02  -0.02   0.09
    25   1     0.04  -0.02  -0.03     0.25  -0.12  -0.17    -0.11   0.05   0.07
    26   1     0.00  -0.06   0.01    -0.00  -0.33   0.05     0.00  -0.00  -0.00
                     67                     68                     69
                      A                      A                      A
 Frequencies --   3077.0610              3098.7079              3109.9307
 Red. masses --      1.0999                 1.0989                 1.0998
 Frc consts  --      6.1357                 6.2171                 6.2672
 IR Inten    --     59.0396                24.4589                29.4901
 RamAct Fr= 1--    134.1415                81.4681                24.7792
  Dep-P Fr= 1--      0.7227                 0.6746                 0.6320
  Dep-U Fr= 1--      0.8390                 0.8057                 0.7745
 Alpha2 Fr= 1--      0.0629                 0.1088                 0.0531
 Beta2  Fr= 1--     18.7585                10.9392                 3.1987
 AlphaG Fr= 1--      0.0422                 0.1202                -0.0134
 Gamma2 Fr= 1--     -2.6698                 0.9707                 0.1221
 Delta2 Fr= 1--      0.2068                 0.8070                -0.9117
 Raman1 Fr= 1--     536.566                325.873                 99.117
 ROA1   Fr= 1--    -249.685                119.009                -17.457
 CID1   Fr= 1--      -0.465                  0.365                 -0.176
 Raman2 Fr= 1--     225.102                131.270                 38.385
 ROA2   Fr= 1--     -65.729                 16.840                 10.223
 CID2   Fr= 1--      -0.292                  0.128                  0.266
 Raman3 Fr= 1--     450.204                262.540                 76.770
 ROA3   Fr= 1--    -249.685                119.009                -17.457
 CID3   Fr= 1--      -0.555                  0.453                 -0.227
 RC180  Fr= 1--       0.678                  0.611                  0.549
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00  -0.00   0.00
     2   6     0.00   0.00  -0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
     3   6     0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
     4   6     0.00   0.00   0.00    -0.06  -0.05  -0.05     0.00   0.00   0.00
     5   6    -0.00  -0.01  -0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
     6   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
     7   6     0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
     8   6     0.00   0.00  -0.01     0.00   0.00   0.00     0.04   0.02   0.01
     9   1     0.00   0.00   0.00    -0.03  -0.01  -0.01    -0.00  -0.00  -0.00
    10   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    11   1    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    12   1    -0.02  -0.01  -0.01     0.75   0.32   0.43    -0.01  -0.00  -0.00
    13   1     0.00  -0.00  -0.01    -0.08   0.05   0.25     0.00  -0.00  -0.00
    14   1     0.00   0.01  -0.00     0.06   0.21  -0.13    -0.00  -0.00   0.00
    15   1    -0.00   0.09   0.05     0.00   0.04   0.02    -0.00  -0.01  -0.01
    16   6     0.02  -0.04  -0.01     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    17   6     0.04  -0.07  -0.02     0.00  -0.00  -0.00     0.00   0.03  -0.08
    18   1    -0.01   0.01  -0.00    -0.01   0.00   0.00    -0.01   0.01  -0.00
    19   1     0.03   0.01   0.03    -0.01  -0.00  -0.01    -0.21  -0.06  -0.20
    20   1    -0.07  -0.05   0.04    -0.00  -0.00   0.00    -0.22  -0.16   0.13
    21   1     0.01  -0.01  -0.00    -0.00  -0.00  -0.00     0.03   0.01   0.01
    22   1     0.02   0.33  -0.04     0.00   0.01  -0.00     0.00  -0.00   0.00
    23   1    -0.25   0.13   0.17    -0.01   0.00   0.00     0.00  -0.00  -0.00
    24   1     0.01  -0.02   0.00     0.00  -0.00   0.01     0.12  -0.17   0.82
    25   1    -0.46   0.22   0.32    -0.01   0.00   0.00    -0.17   0.09   0.10
    26   1     0.01   0.62  -0.08     0.00   0.00  -0.00     0.00  -0.23   0.01
                     70                     71                     72
                      A                      A                      A
 Frequencies --   3128.0291              3132.1987              3149.9978
 Red. masses --      1.0947                 1.1010                 1.0905
 Frc consts  --      6.3106                 6.3642                 6.3750
 IR Inten    --     13.1850                47.5982                24.9582
 RamAct Fr= 1--     48.5683               104.4930               163.5251
  Dep-P Fr= 1--      0.4643                 0.4851                 0.2374
  Dep-U Fr= 1--      0.6342                 0.6533                 0.3837
 Alpha2 Fr= 1--      0.2808                 0.5522                 2.0070
 Beta2  Fr= 1--      5.1333                11.3780                10.4584
 AlphaG Fr= 1--      0.3926                 0.0030                -0.1299
 Gamma2 Fr= 1--      4.3166                -1.3616                 1.0472
 Delta2 Fr= 1--      0.0863                 1.3333                 1.1241
 Raman1 Fr= 1--     194.273                417.972                654.100
 ROA1   Fr= 1--     417.154                -88.046                136.500
 CID1   Fr= 1--       2.147                 -0.211                  0.209
 Raman2 Fr= 1--      61.600                136.536                125.501
 ROA2   Fr= 1--     102.907                -43.345                 16.139
 CID2   Fr= 1--       1.671                 -0.317                  0.129
 Raman3 Fr= 1--     123.200                273.072                251.001
 ROA3   Fr= 1--     417.154                -88.046                136.500
 CID3   Fr= 1--       3.386                 -0.322                  0.544
 RC180  Fr= 1--       0.268                  0.307                 -0.233
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.07  -0.03  -0.04
     2   6     0.00  -0.00  -0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
     3   6    -0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
     4   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     5   6    -0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
     6   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
     7   6     0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     8   6     0.01   0.00   0.00    -0.07  -0.03  -0.03     0.00   0.00   0.00
     9   1     0.01   0.00   0.00     0.02   0.01   0.01     0.83   0.31   0.45
    10   1     0.00   0.00   0.00    -0.00  -0.00   0.00     0.00   0.02  -0.01
    11   1    -0.00   0.00   0.01     0.00   0.00   0.00    -0.01   0.01   0.02
    12   1     0.00   0.00   0.00     0.01   0.00   0.00     0.03   0.01   0.02
    13   1    -0.00   0.00   0.00    -0.00   0.00   0.01     0.00  -0.00   0.00
    14   1     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    15   1    -0.00  -0.00   0.00    -0.00   0.05   0.02    -0.00  -0.01  -0.01
    16   6    -0.08  -0.03  -0.02    -0.01  -0.00  -0.00     0.00   0.00   0.00
    17   6     0.00  -0.00   0.01    -0.00   0.01  -0.03     0.00  -0.00   0.00
    18   1    -0.00   0.00   0.00     0.04  -0.03  -0.00    -0.01   0.00  -0.00
    19   1    -0.06  -0.02  -0.05     0.59   0.17   0.53    -0.01  -0.00  -0.01
    20   1    -0.01  -0.01   0.01     0.29   0.21  -0.18    -0.00  -0.00   0.00
    21   1     0.82   0.30   0.37     0.08   0.03   0.04    -0.01  -0.00  -0.00
    22   1    -0.01   0.20  -0.03    -0.00   0.02  -0.00    -0.00  -0.00   0.00
    23   1     0.14  -0.09  -0.11     0.01  -0.01  -0.01    -0.00   0.00   0.00
    24   1    -0.01   0.01  -0.06     0.06  -0.08   0.37    -0.00   0.00  -0.00
    25   1     0.01  -0.01  -0.00    -0.06   0.03   0.04    -0.00   0.00   0.00
    26   1     0.00   0.02   0.00     0.00  -0.08   0.00    -0.00  -0.00   0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  6 and mass  12.00000
 Atom     8 has atomic number  6 and mass  12.00000
 Atom     9 has atomic number  1 and mass   1.00783
 Atom    10 has atomic number  1 and mass   1.00783
 Atom    11 has atomic number  1 and mass   1.00783
 Atom    12 has atomic number  1 and mass   1.00783
 Atom    13 has atomic number  1 and mass   1.00783
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  6 and mass  12.00000
 Atom    17 has atomic number  6 and mass  12.00000
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Atom    20 has atomic number  1 and mass   1.00783
 Atom    21 has atomic number  1 and mass   1.00783
 Atom    22 has atomic number  1 and mass   1.00783
 Atom    23 has atomic number  1 and mass   1.00783
 Atom    24 has atomic number  1 and mass   1.00783
 Atom    25 has atomic number  1 and mass   1.00783
 Atom    26 has atomic number  1 and mass   1.00783
 Molecular mass:   136.12520 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   927.017381463.814421595.54340
           X            0.99999  -0.00503   0.00113
           Y            0.00502   0.99996   0.00796
           Z           -0.00117  -0.00796   0.99997
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.09343     0.05917     0.05428
 Rotational constants (GHZ):           1.94683     1.23290     1.13111
 Zero-point vibrational energy     617927.4 (Joules/Mol)
                                  147.68819 (Kcal/Mol)
 Warning -- explicit consideration of  14 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:    178.96   261.98   280.58   293.83   323.92
          (Kelvin)            380.22   441.87   484.58   562.48   571.34
                              619.28   672.20   704.53   832.13   905.18
                              974.91  1128.17  1165.03  1193.72  1227.77
                             1295.78  1327.34  1355.44  1374.39  1403.39
                             1404.93  1472.23  1493.27  1526.75  1534.36
                             1563.50  1599.04  1624.40  1658.45  1717.41
                             1746.25  1776.10  1788.08  1803.28  1843.79
                             1868.41  1929.07  1958.99  1974.22  2018.37
                             2033.60  2045.54  2125.97  2128.56  2135.01
                             2141.23  2149.07  2158.88  2179.41  2185.47
                             2478.09  4316.83  4328.72  4342.19  4347.71
                             4357.19  4384.19  4393.38  4408.95  4416.23
                             4423.73  4427.20  4458.35  4474.50  4500.54
                             4506.54  4532.14
 
 Zero-point correction=                           0.235356 (Hartree/Particle)
 Thermal correction to Energy=                    0.245170
 Thermal correction to Enthalpy=                  0.246114
 Thermal correction to Gibbs Free Energy=         0.201678
 Sum of electronic and zero-point Energies=           -390.613306
 Sum of electronic and thermal Energies=              -390.603492
 Sum of electronic and thermal Enthalpies=            -390.602548
 Sum of electronic and thermal Free Energies=         -390.646984
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  153.846             40.194             93.523
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             40.637
 Rotational               0.889              2.981             29.161
 Vibrational            152.069             34.232             23.725
 Vibration     1          0.610              1.929              3.031
 Vibration     2          0.630              1.864              2.307
 Vibration     3          0.636              1.847              2.180
 Vibration     4          0.640              1.834              2.095
 Vibration     5          0.650              1.803              1.917
 Vibration     6          0.671              1.738              1.633
 Vibration     7          0.697              1.660              1.378
 Vibration     8          0.718              1.602              1.227
 Vibration     9          0.759              1.490              0.997
 Vibration    10          0.764              1.476              0.973
 Vibration    11          0.792              1.404              0.857
 Vibration    12          0.824              1.323              0.745
 Vibration    13          0.846              1.273              0.684
 Vibration    14          0.935              1.078              0.488
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.171709D-92        -92.765208       -213.599785
 Total V=0       0.309734D+16         15.490989         35.669321
 Vib (Bot)       0.522208-106       -106.282156       -244.723709
 Vib (Bot)    1  0.164124D+01          0.215173          0.495455
 Vib (Bot)    2  0.110226D+01          0.042285          0.097365
 Vib (Bot)    3  0.102439D+01          0.010466          0.024099
 Vib (Bot)    4  0.974768D+00         -0.011099         -0.025556
 Vib (Bot)    5  0.876683D+00         -0.057158         -0.131610
 Vib (Bot)    6  0.733426D+00         -0.134644         -0.310028
 Vib (Bot)    7  0.616729D+00         -0.209906         -0.483325
 Vib (Bot)    8  0.552439D+00         -0.257716         -0.593413
 Vib (Bot)    9  0.458916D+00         -0.338267         -0.778889
 Vib (Bot)   10  0.449793D+00         -0.346987         -0.798967
 Vib (Bot)   11  0.404674D+00         -0.392894         -0.904673
 Vib (Bot)   12  0.361879D+00         -0.441436         -1.016445
 Vib (Bot)   13  0.338699D+00         -0.470186         -1.082644
 Vib (Bot)   14  0.263907D+00         -0.578549         -1.332159
 Vib (V=0)       0.941978D+02          1.974041          4.545396
 Vib (V=0)    1  0.221572D+01          0.345514          0.795576
 Vib (V=0)    2  0.171036D+01          0.233089          0.536707
 Vib (V=0)    3  0.163990D+01          0.214818          0.494637
 Vib (V=0)    4  0.159552D+01          0.202903          0.467202
 Vib (V=0)    5  0.150924D+01          0.178759          0.411609
 Vib (V=0)    6  0.138765D+01          0.142278          0.327608
 Vib (V=0)    7  0.129395D+01          0.111917          0.257699
 Vib (V=0)    8  0.124511D+01          0.095208          0.219224
 Vib (V=0)    9  0.117868D+01          0.071395          0.164393
 Vib (V=0)   10  0.117254D+01          0.069129          0.159175
 Vib (V=0)   11  0.114324D+01          0.058138          0.133869
 Vib (V=0)   12  0.111722D+01          0.048137          0.110841
 Vib (V=0)   13  0.110392D+01          0.042937          0.098866
 Vib (V=0)   14  0.106537D+01          0.027502          0.063325
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.624254D+08          7.795362         17.949484
 Rotational      0.526729D+06          5.721587         13.174441
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.000020756    0.000016571   -0.000003148
      2        6           0.000002715   -0.000033736    0.000014781
      3        6          -0.000039220    0.000021345   -0.000006710
      4        6          -0.000000937    0.000001069   -0.000000928
      5        6           0.000081735    0.000008569    0.000036076
      6        6          -0.000020464    0.000016095   -0.000040666
      7        6          -0.000007164    0.000024953    0.000020334
      8        6          -0.000000954   -0.000032311   -0.000023921
      9        1          -0.000002528   -0.000001739   -0.000001447
     10        1           0.000002334   -0.000001214   -0.000000994
     11        1           0.000007878    0.000003379    0.000000668
     12        1           0.000002619   -0.000003657   -0.000003788
     13        1           0.000000185   -0.000001572   -0.000002097
     14        1          -0.000000453   -0.000003442   -0.000001043
     15        1          -0.000002661   -0.000000993    0.000001116
     16        6          -0.000008622    0.000000885   -0.000002009
     17        6           0.000009320    0.000005739   -0.000004485
     18        1           0.000000273    0.000000900    0.000004453
     19        1          -0.000007618   -0.000004873   -0.000015285
     20        1           0.000000492    0.000003088   -0.000002365
     21        1           0.000003390   -0.000026953    0.000019612
     22        1           0.000000131    0.000001526   -0.000002214
     23        1          -0.000000722    0.000000653    0.000005664
     24        1           0.000003820    0.000004735    0.000002413
     25        1          -0.000001258    0.000002318   -0.000001236
     26        1          -0.000001535   -0.000001338    0.000007220
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000081735 RMS     0.000015694
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) frequency  1    0.093368:
                 1             2             3 
      1   0.125782D+03 -0.460208D+00  0.479139D+00
      2  -0.460208D+00  0.122129D+03  0.465578D+01
      3   0.479139D+00  0.465578D+01  0.109736D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.093368:
                 1             2             3 
      1  -0.177521D+00  0.323478D+01  0.533293D+01
      2   0.364279D+01  0.157342D+02 -0.401839D+01
      3   0.813348D+01 -0.233935D+02 -0.147948D+02
 Property number 4 -- D-Q polarizability frequency  1    0.093368:
                 1             2             3 
      1   0.123292D+02 -0.395551D+02  0.385610D+00
      2   0.523329D+01  0.201248D+02  0.730217D+01
      3  -0.175625D+02  0.194303D+02 -0.768778D+01
      4  -0.412137D+02  0.349721D+02  0.268152D+02
      5   0.139011D+02  0.242724D+02 -0.203676D+02
      6   0.101963D+02  0.187272D+02 -0.340827D+00
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    78 ND12= 1 LenFil=    2811:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1  -0.364012D+01  0.381367D+00 -0.164679D+01  0.236184D+01 -0.886276D+00
      2   0.381367D+00 -0.986484D+00 -0.253590D+01 -0.886276D+00  0.158075D+02
      3  -0.164679D+01 -0.253590D+01 -0.213854D+01 -0.206488D+01  0.306755D+01
                 6             7             8             9            10 
      1  -0.206488D+01 -0.121890D+01 -0.308214D+01 -0.173503D+01  0.898096D+00
      2   0.306755D+01 -0.308214D+01  0.213419D+01  0.360802D+01  0.387389D+00
      3   0.289048D+01 -0.173503D+01  0.360802D+01  0.530010D+01  0.360650D+00
                11            12            13            14            15 
      1   0.387389D+00  0.360650D+00  0.124719D+01  0.367494D+00  0.200524D+01
      2   0.104698D+01  0.325978D+01  0.367494D+00 -0.114050D+02  0.450264D+00
      3   0.325978D+01  0.269127D+01  0.200524D+01  0.450264D+00 -0.140126D+01
                16            17            18            19            20 
      1   0.895221D+00  0.297841D+01  0.270597D+01  0.258472D+01 -0.302742D+01
      2   0.297841D+01  0.217446D+01 -0.383045D+01 -0.302742D+01  0.162990D+01
      3   0.270597D+01 -0.383045D+01 -0.561736D+01 -0.611756D+00  0.114392D+01
                21            22            23            24            25 
      1  -0.611756D+00 -0.307638D+01  0.159623D+01  0.134607D+01 -0.128357D+01
      2   0.114392D+01  0.159623D+01 -0.160036D+02 -0.419797D+01  0.527871D+00
      3   0.736461D+00  0.134607D+01 -0.419797D+01 -0.403605D+01  0.151239D+01
                26            27            28            29            30 
      1   0.527871D+00  0.151239D+01 -0.497891D+01 -0.310436D+00 -0.118655D+01
      2  -0.437780D+01 -0.388664D+01 -0.310436D+00 -0.879072D+00 -0.277508D+01
      3  -0.388664D+01 -0.430067D+01 -0.118655D+01 -0.277508D+01 -0.262189D+01
                31            32            33            34            35 
      1  -0.188853D+01 -0.266464D+01 -0.264401D+01 -0.139695D+01 -0.275899D+01
      2  -0.266464D+01  0.981973D+01 -0.236874D+00 -0.275899D+01 -0.693677D+00
      3  -0.264401D+01 -0.236874D+00  0.173762D+01 -0.418519D+01  0.374027D+01
                36            37            38            39            40 
      1  -0.418519D+01  0.453912D+01  0.194917D+01 -0.236554D+01 -0.184907D+01
      2   0.374027D+01  0.194917D+01  0.976119D+00 -0.836806D+00 -0.623930D-01
      3   0.464493D+01 -0.236554D+01 -0.836806D+00  0.347500D+01 -0.184521D+01
                41            42            43            44            45 
      1  -0.623930D-01 -0.184521D+01 -0.546705D+01 -0.106512D+01  0.231426D+01
      2   0.442212D+01  0.387376D+01 -0.106512D+01  0.348200D+01  0.439493D+00
      3   0.387376D+01 -0.140410D+01  0.231426D+01  0.439493D+00  0.379906D+00
                46            47            48            49            50 
      1  -0.418382D+01  0.120694D+01  0.472166D+01  0.327387D+01 -0.164358D+01
      2   0.120694D+01 -0.154410D+01  0.530368D+00 -0.164358D+01 -0.765879D+01
      3   0.472166D+01  0.530368D+00 -0.173039D+01  0.104704D+01  0.152278D+01
                51            52            53            54            55 
      1   0.104704D+01  0.738558D+01  0.106208D+01 -0.156602D+01  0.294751D+01
      2   0.152278D+01  0.106208D+01  0.250227D+01  0.137599D+01 -0.386367D+01
      3   0.956240D+00 -0.156602D+01  0.137599D+01 -0.226535D+01 -0.144810D+01
                56            57            58            59            60 
      1  -0.386367D+01 -0.144810D+01 -0.356289D+01  0.471194D+01 -0.151783D+01
      2   0.440236D+01 -0.135735D+01  0.471194D+01  0.305348D+01 -0.247289D+01
      3  -0.135735D+01 -0.135657D+01 -0.151783D+01 -0.247289D+01  0.292665D+01
                61            62            63            64            65 
      1  -0.153748D+01 -0.166683D+01 -0.155804D+01  0.279402D+00 -0.964125D+00
      2  -0.166683D+01 -0.316840D+01  0.156140D+01 -0.964125D+00 -0.236517D+01
      3  -0.155804D+01  0.156140D+01  0.314491D+01  0.347963D+01  0.376999D+01
                66            67            68            69            70 
      1   0.347963D+01  0.465587D+00 -0.182385D+01  0.439576D+01  0.307868D+01
      2   0.376999D+01 -0.182385D+01  0.107861D+01 -0.889617D+00  0.285405D+01
      3   0.759489D+00  0.439576D+01 -0.889617D+00 -0.876809D+00  0.106237D+01
                71            72            73            74            75 
      1   0.285405D+01  0.106237D+01  0.788285D+01  0.259671D+01  0.327986D+01
      2  -0.588436D+00 -0.143172D+01  0.259671D+01  0.140450D+01  0.130515D+01
      3  -0.143172D+01 -0.234520D+00  0.327986D+01  0.130515D+01  0.239421D+01
                76            77            78            79            80 
      1   0.195425D+01  0.135078D+01  0.926201D+00  0.341557D+01  0.163621D+01
      2   0.135078D+01  0.212419D+01  0.148034D+01  0.163621D+01  0.204411D+01
      3   0.926201D+00  0.148034D+01  0.133702D+01  0.220823D+01  0.842216D+00
                81            82            83            84            85 
      1   0.220823D+01  0.888016D+00  0.139510D+01 -0.347632D+00  0.149658D+01
      2   0.842216D+00  0.139510D+01  0.211736D+01 -0.267413D+00  0.106015D+01
      3   0.141136D+01 -0.347632D+00 -0.267413D+00 -0.128511D+00 -0.288882D+00
                86            87            88            89            90 
      1   0.106015D+01 -0.288882D+00 -0.812884D+00 -0.722497D+00 -0.144509D+00
      2   0.133207D+02 -0.831690D+00 -0.722497D+00 -0.372426D+01  0.209417D+01
      3  -0.831690D+00  0.112692D+01 -0.144509D+00  0.209417D+01 -0.866339D-01
                91            92            93            94            95 
      1  -0.124891D+01  0.693680D+00  0.134685D+01  0.215597D+00 -0.700759D+00
      2   0.693680D+00 -0.864285D+00 -0.117122D+01 -0.700759D+00  0.359550D+01
      3   0.134685D+01 -0.117122D+01 -0.179059D+01 -0.517936D+00  0.197478D+01
                96            97            98            99           100 
      1  -0.517936D+00  0.170346D+01 -0.138018D+01 -0.165992D+01  0.876939D+01
      2   0.197478D+01 -0.138018D+01  0.374391D+01  0.433338D+01 -0.113841D+00
      3   0.169011D+01 -0.165992D+01  0.433338D+01  0.810492D+01  0.205596D+01
               101           102           103           104           105 
      1  -0.113841D+00  0.205596D+01  0.304609D+01  0.514570D+00  0.650078D+00
      2   0.979839D+00  0.118112D+00  0.514570D+00  0.378929D+00  0.449156D+00
      3   0.118112D+00  0.168699D+01  0.650078D+00  0.449156D+00  0.492065D+00
               106           107           108           109           110 
      1   0.380925D+01 -0.199354D+00  0.211747D+01  0.230644D+01 -0.862003D+00
      2  -0.199354D+00  0.862280D+00 -0.197832D+00 -0.862003D+00  0.415070D+00
      3   0.211747D+01 -0.197832D+00  0.115682D+01 -0.152263D+01  0.920606D+00
               111           112           113           114           115 
      1  -0.152263D+01 -0.818820D+00  0.170471D+01  0.101329D+01 -0.375944D+01
      2   0.920606D+00  0.170471D+01 -0.318618D+01 -0.146388D+01  0.288522D+01
      3   0.169849D+01  0.101329D+01 -0.146388D+01 -0.160134D+01  0.348081D+01
               116           117           118           119           120 
      1   0.288522D+01  0.348081D+01 -0.395757D+00 -0.348632D+00  0.474948D+00
      2  -0.330597D+01 -0.351261D+01 -0.348632D+00 -0.200987D+01  0.439347D+00
      3  -0.351261D+01 -0.717876D+01  0.474948D+00  0.439347D+00 -0.124822D+00
               121           122           123           124           125 
      1  -0.208943D+01  0.192590D+01  0.322929D+00  0.103046D+01 -0.142304D+00
      2   0.192590D+01 -0.101755D+02  0.166591D+01 -0.142304D+00  0.313076D+01
      3   0.322929D+00  0.166591D+01 -0.156367D+01  0.730578D+00 -0.221679D+01
               126           127           128           129           130 
      1   0.730578D+00  0.406704D+00 -0.999405D+00 -0.756069D-01 -0.181322D+01
      2  -0.221679D+01 -0.999405D+00 -0.334170D+00  0.906545D-01  0.724243D+00
      3   0.586327D+00 -0.756069D-01  0.906545D-01 -0.179448D+00  0.374211D+00
               131           132           133           134           135 
      1   0.724243D+00  0.374211D+00 -0.124892D+00  0.479192D+00  0.881452D-01
      2  -0.768803D+01 -0.323575D+01  0.479192D+00 -0.281013D+01 -0.208942D+01
      3  -0.323575D+01 -0.230371D+01  0.881452D-01 -0.208942D+01 -0.225279D+01
               136           137           138           139           140 
      1  -0.570260D+00 -0.239530D+01 -0.439960D+01 -0.316000D+01  0.965946D+00
      2  -0.239530D+01  0.556756D+00  0.254267D+00  0.965946D+00  0.653888D+01
      3  -0.439960D+01  0.254267D+00  0.117220D+01  0.342110D+00 -0.257348D+01
               141           142           143           144           145 
      1   0.342110D+00 -0.483174D+01  0.939646D-01  0.150701D+01  0.209804D+01
      2  -0.257348D+01  0.939646D-01 -0.163354D+01 -0.171496D+01 -0.270554D+01
      3  -0.181499D+01  0.150701D+01 -0.171496D+01  0.144577D+01 -0.376934D+01
               146           147           148           149           150 
      1  -0.270554D+01 -0.376934D+01 -0.409477D+01  0.160281D+01 -0.188371D+00
      2   0.310613D+00 -0.186886D+00  0.160281D+01  0.733695D+01 -0.985104D+00
      3  -0.186886D+00  0.159233D+01 -0.188371D+00 -0.985104D+00 -0.184996D+01
               151           152           153           154           155 
      1  -0.468248D+01 -0.430959D-01  0.223902D+01 -0.683253D+01  0.429624D+01
      2  -0.430959D-01 -0.126057D+01 -0.153997D+01  0.429624D+01 -0.415119D+01
      3   0.223902D+01 -0.153997D+01  0.455704D+01  0.774211D-01  0.266330D+00
               156           157           158           159           160 
      1   0.774211D-01  0.329447D+01 -0.336938D+01  0.362323D+00  0.297684D+00
      2   0.266330D+00 -0.336938D+01  0.429722D+01  0.674072D-01  0.272793D+00
      3  -0.825535D+00  0.362323D+00  0.674072D-01  0.532438D+00 -0.894481D+00
               161           162           163           164           165 
      1   0.272793D+00 -0.894481D+00 -0.393808D+01 -0.330312D+00 -0.312417D+01
      2   0.263727D+00  0.886635D+00 -0.330312D+00 -0.658358D+00 -0.139892D+00
      3   0.886635D+00 -0.223278D+00 -0.312417D+01 -0.139892D+00 -0.413421D+01
               166           167           168           169           170 
      1  -0.828554D+00 -0.641241D+00 -0.643952D+00 -0.264320D+01 -0.248273D+00
      2  -0.641241D+00 -0.407370D+00 -0.701357D+00 -0.248273D+00 -0.634665D+00
      3  -0.643952D+00 -0.701357D+00 -0.686130D+00 -0.320077D+01 -0.204410D-01
               171           172           173           174           175 
      1  -0.320077D+01  0.314000D+01  0.156608D+01 -0.263159D+01  0.126423D+01
      2  -0.204410D-01  0.156608D+01  0.197648D+01 -0.208559D+01  0.138510D+01
      3  -0.627125D+01 -0.263159D+01 -0.208559D+01  0.345849D+01 -0.158502D+01
               176           177           178           179           180 
      1   0.138510D+01 -0.158502D+01 -0.145490D+01 -0.923602D+00  0.149131D+01
      2   0.240184D+01 -0.194510D+01 -0.923602D+00 -0.120349D+01  0.172452D+01
      3  -0.194510D+01  0.261182D+01  0.149131D+01  0.172452D+01 -0.408547D+01
               181           182           183           184           185 
      1   0.457370D+01  0.100887D+01  0.146204D+01  0.160114D+01  0.564798D+00
      2   0.100887D+01  0.101208D+01 -0.279367D+00  0.564798D+00 -0.104719D+00
      3   0.146204D+01 -0.279367D+00  0.316971D+01 -0.416030D-01  0.521693D+00
               186           187           188           189           190 
      1  -0.416030D-01  0.182567D+01  0.104324D+00  0.153118D+01 -0.385218D+00
      2   0.521693D+00  0.104324D+00  0.657470D+00  0.521829D+00 -0.751890D+00
      3   0.136828D+01  0.153118D+01  0.521829D+00  0.224924D+01  0.889184D+00
               191           192           193           194           195 
      1  -0.751890D+00  0.889184D+00 -0.124720D+01 -0.107909D+01  0.415805D+00
      2  -0.387833D+00  0.123726D+00 -0.107909D+01 -0.828907D+01  0.327254D+01
      3   0.123726D+00 -0.481583D+00  0.415805D+00  0.327254D+01 -0.280430D+01
               196           197           198           199           200 
      1   0.433603D+00  0.652984D-01 -0.336022D+00 -0.467550D+01  0.804870D+00
      2   0.652984D-01  0.104744D+01 -0.113423D+01  0.804870D+00 -0.118723D+01
      3  -0.336022D+00 -0.113423D+01  0.103144D+01  0.359196D+01 -0.349100D+00
               201           202           203           204           205 
      1   0.359196D+01  0.201349D+01 -0.992654D+00 -0.127123D+01  0.252418D+01
      2  -0.349100D+00 -0.992654D+00  0.249294D+00  0.114032D+01 -0.419344D+00
      3  -0.410514D+01 -0.127123D+01  0.114032D+01  0.208626D+01 -0.261698D+01
               206           207           208           209           210 
      1  -0.419344D+00 -0.261698D+01 -0.118736D+01  0.472178D+00 -0.110144D+01
      2   0.834711D+00  0.640069D+00  0.472178D+00 -0.101221D+00 -0.231613D-01
      3   0.640069D+00  0.394981D+01 -0.110144D+01 -0.231613D-01 -0.154057D+01
               211           212           213           214           215 
      1   0.118610D+01 -0.287252D+00  0.138146D+00 -0.264736D+01 -0.553939D+00
      2  -0.287252D+00 -0.322305D+00 -0.697290D+00 -0.553939D+00 -0.123870D+01
      3   0.138146D+00 -0.697290D+00  0.795884D+00 -0.246470D+01  0.257039D+00
               216           217           218           219           220 
      1  -0.246470D+01 -0.837209D+01  0.651804D+00  0.213125D+01  0.350659D+01
      2   0.257039D+00  0.651804D+00 -0.109790D+01 -0.266346D+00 -0.127737D+01
      3  -0.666453D+01  0.213125D+01 -0.266346D+00 -0.160729D+01 -0.601682D+00
               221           222           223           224           225 
      1  -0.127737D+01 -0.601682D+00  0.457036D+01 -0.630280D-01 -0.201516D+01
      2   0.109814D+00  0.516022D+00 -0.630280D-01  0.951714D+00  0.379462D+00
      3   0.516022D+00  0.930236D+00 -0.201516D+01  0.379462D+00  0.133957D+01
               226           227           228           229           230 
      1  -0.905439D+00 -0.737819D+00  0.359318D+00 -0.249818D+01 -0.304619D+01
      2  -0.737819D+00 -0.261176D+00  0.518795D-01 -0.304619D+01 -0.929412D+01
      3   0.359318D+00  0.518795D-01 -0.695508D-01 -0.128588D+00  0.228473D+00
               231           232           233           234 
      1  -0.128588D+00  0.891151D+00  0.309287D+00 -0.611925D+00
      2   0.228473D+00  0.309287D+00  0.810596D+00 -0.829432D+00
      3  -0.113970D+01 -0.611925D+00 -0.829432D+00 -0.121531D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1   0.144687D+01  0.999686D+00  0.104164D+00  0.263749D+01  0.948193D+01
      2   0.237294D+01 -0.199919D+01 -0.274060D+01 -0.335802D-01  0.911001D+01
      3  -0.284551D+01 -0.386384D+01  0.161254D+01  0.233789D+01 -0.433149D+02
                 6             7             8             9            10 
      1  -0.148472D+01  0.105303D+01  0.496643D+01  0.208184D+00 -0.799238D+00
      2   0.104652D+02 -0.924062D+01  0.139451D+02  0.150014D+02 -0.807823D+00
      3  -0.121972D+02  0.161520D+01 -0.956041D+01 -0.136177D+02  0.361224D+01
                11            12            13            14            15 
      1  -0.695716D+01 -0.359536D+01 -0.350472D+01 -0.167852D+02  0.490962D+00
      2   0.277541D+01  0.274076D+01  0.490751D+00 -0.442094D+01 -0.205621D+01
      3  -0.552975D+01 -0.324886D+01  0.351203D+01  0.943306D+01  0.585877D+01
                16            17            18            19            20 
      1  -0.538716D+01  0.170218D+02  0.135381D+02 -0.159345D+01 -0.207909D+01
      2  -0.497629D+00 -0.283985D+01 -0.548809D+01 -0.134820D+01  0.573655D+01
      3  -0.168223D+01  0.938772D+01  0.105625D+02  0.109901D+02 -0.668163D+01
                21            22            23            24            25 
      1  -0.407169D+00 -0.234787D+01 -0.120244D+02 -0.211643D+01 -0.280171D+01
      2   0.124839D+01  0.459513D+01 -0.105025D+02 -0.114532D+02 -0.525337D+01
      3  -0.443004D+01  0.224659D+01  0.421757D+02  0.135502D+02 -0.286132D+01
                26            27            28            29            30 
      1   0.452556D+01  0.274352D+01 -0.148792D+01 -0.572197D+01 -0.457279D+01
      2  -0.106031D+02 -0.162371D+02 -0.526674D+01 -0.897499D+01 -0.585054D+01
      3   0.136402D+02  0.110737D+02  0.103196D+02 -0.112442D+01  0.103885D+02
                31            32            33            34            35 
      1  -0.300237D+01 -0.632850D+01  0.199541D+01 -0.995954D+01  0.133424D+02
      2  -0.815721D+01 -0.270191D+01  0.385551D+01 -0.158256D+02  0.130921D+02
      3   0.135316D+02 -0.288160D+02  0.536511D+01  0.103751D+02  0.101357D+02
                36            37            38            39            40 
      1   0.944339D+01 -0.369362D+00  0.679223D+00  0.451553D+01 -0.435648D+01
      2   0.143137D+02  0.839130D+01  0.312448D+01  0.365692D+01 -0.290980D+01
      3  -0.397110D+01 -0.135600D+02 -0.833417D+01 -0.126107D+01  0.752938D+01
                41            42            43            44            45 
      1   0.715627D+00 -0.104357D+02  0.730530D+01  0.683900D+00  0.479969D+01
      2   0.263192D+01 -0.453836D+01 -0.926874D+01 -0.407671D+01  0.420127D+01
      3   0.204359D+01  0.281657D+01  0.434844D+01 -0.592922D+00 -0.612473D+01
                46            47            48            49            50 
      1   0.384998D+01 -0.438009D+00 -0.197310D+01 -0.796939D+00 -0.125599D+01
      2  -0.126853D+02 -0.275925D+01  0.636308D+01  0.100597D+01 -0.147108D+01
      3   0.116948D+02 -0.510961D+01 -0.156889D+01 -0.266689D+01 -0.152524D+02
                51            52            53            54            55 
      1  -0.212283D+01 -0.233824D+01  0.679024D+01 -0.295571D+01  0.279077D+01
      2  -0.818351D+00  0.136594D-01 -0.310424D+01  0.628666D+01  0.276137D+01
      3   0.209851D+01 -0.712182D+01  0.222955D+01  0.482271D+01 -0.358203D+01
                56            57            58            59            60 
      1   0.229912D+01  0.593129D+01  0.274956D+01  0.357163D+01 -0.630887D+01
      2   0.169082D+01  0.396059D+01  0.143651D+01  0.237735D+01 -0.340707D+01
      3  -0.532877D+01 -0.341664D+01  0.350239D+01  0.115929D+02 -0.487158D+01
                61            62            63            64            65 
      1   0.415790D+01  0.331524D+00 -0.840233D+01 -0.266051D+01  0.298759D+01
      2  -0.242200D+01 -0.245258D+01 -0.469208D+01 -0.120043D+01 -0.412409D+01
      3  -0.481861D+01 -0.600793D+01 -0.110125D+01  0.227351D+01 -0.410498D+01
                66            67            68            69            70 
      1  -0.120702D+02  0.599945D+01 -0.145822D+01  0.690186D+01 -0.100279D+02
      2   0.990314D+01 -0.903569D+00 -0.419333D+01  0.139074D+02  0.326137D+01
      3   0.641802D+01 -0.178973D+01 -0.198091D+01 -0.127947D+01  0.492020D+01
                71            72            73            74            75 
      1   0.738742D+01  0.214109D+01 -0.194400D+01  0.396703D+00 -0.304832D+01
      2   0.891371D+01  0.427927D+01 -0.648794D+00  0.109933D+01  0.606870D+01
      3   0.353162D+00  0.815418D+00  0.529048D+01 -0.239415D+01  0.142215D+01
                76            77            78            79            80 
      1  -0.346702D+00 -0.686452D+00 -0.121952D+01 -0.178215D+01  0.289319D+01
      2  -0.193823D+00  0.286071D+01  0.291131D+01  0.223030D+00 -0.153281D+01
      3   0.140590D+01 -0.250167D+01 -0.150316D+01  0.142195D+01 -0.413719D+01
                81            82            83            84            85 
      1  -0.119104D+01  0.170015D+01  0.262109D+01 -0.419957D-01  0.468402D+00
      2   0.132590D+01 -0.783390D+00 -0.351415D+00  0.144573D+01 -0.119123D+01
      3   0.143485D+01  0.213015D+01  0.941569D+00 -0.673244D+00  0.724141D+01
                86            87            88            89            90 
      1   0.126395D+02 -0.641091D+01  0.659125D+00 -0.722815D+01  0.255302D+01
      2   0.121664D+01  0.792631D+00 -0.700896D+00  0.910432D+00  0.335739D+00
      3  -0.542388D+01 -0.501365D+00 -0.282489D+01 -0.302410D+00 -0.192604D+01
                91            92            93            94            95 
      1  -0.306632D+01  0.169938D+01  0.410711D+01  0.287422D+00 -0.396400D+00
      2   0.225999D+01 -0.109517D+01 -0.809460D+00 -0.771050D+00  0.231498D+01
      3  -0.443291D+01  0.292753D+00  0.388473D+01  0.220651D+01 -0.411410D+01
                96            97            98            99           100 
      1  -0.281102D+01  0.321244D+01 -0.390742D+01 -0.170922D+02  0.370795D+01
      2   0.754720D+00 -0.566898D+01  0.285464D+01  0.434230D+01  0.737519D+01
      3  -0.262650D+01  0.780527D+01 -0.614901D+01 -0.702469D+01 -0.124622D+02
               101           102           103           104           105 
      1   0.924381D+00  0.266679D+01  0.753021D+00  0.121286D+01 -0.121516D+00
      2   0.319320D+00  0.810773D+01  0.183867D+01  0.140997D+01  0.224876D+01
      3  -0.573378D+01 -0.386313D+01 -0.315283D+01 -0.292174D+01 -0.227413D+01
               106           107           108           109           110 
      1   0.268630D+01  0.712098D+00  0.131013D+01 -0.238349D+01  0.162511D+01
      2   0.473203D+01  0.819641D-01  0.460353D+01 -0.294967D+01  0.237497D+01
      3  -0.509649D+01 -0.378319D+01 -0.208963D+01 -0.678231D+00 -0.221448D+01
               111           112           113           114           115 
      1   0.329933D+01  0.175979D+01 -0.705341D+00 -0.353143D+01  0.578697D+01
      2   0.537598D+01  0.256210D+01 -0.373509D+01 -0.468120D+01  0.604762D+01
      3  -0.131154D+01 -0.226621D+01  0.738592D+01  0.265222D+01 -0.170272D+01
               116           117           118           119           120 
      1  -0.380173D+01 -0.122764D+02  0.503805D+00  0.200661D+01 -0.512464D+00
      2  -0.872029D+01 -0.205481D+02  0.129722D+01  0.224657D+01  0.390649D+00
      3   0.587554D+01  0.512917D+01  0.233114D+01  0.551436D+01 -0.245262D+01
               121           122           123           124           125 
      1  -0.582434D+00  0.582928D+01 -0.569568D+01  0.137660D+01 -0.416408D+01
      2   0.130948D+01  0.467875D+01 -0.462740D+01  0.438146D+00 -0.536315D+01
      3   0.331343D+00  0.282767D+02 -0.583060D+01 -0.233017D+01 -0.999874D+01
               126           127           128           129           130 
      1   0.189917D+01  0.127777D+01 -0.312005D+00 -0.194760D+00 -0.550896D+00
      2   0.209381D+01  0.964595D+00 -0.863032D+00  0.110123D+01 -0.312957D+01
      3   0.533497D+01 -0.637512D+00 -0.354729D+00 -0.344758D+00  0.610284D+01
               131           132           133           134           135 
      1   0.569906D+01 -0.275987D+01 -0.196497D+00  0.330023D+01 -0.978730D+00
      2   0.687362D+00  0.715349D-01 -0.245426D+01 -0.401127D-02 -0.607524D+00
      3   0.532910D+00  0.279510D-02  0.951361D+00  0.509576D+00  0.216844D+00
               136           137           138           139           140 
      1  -0.115115D+02  0.521320D+00  0.214859D+01  0.309347D+01  0.133383D+02
      2   0.111185D+02  0.513741D+01  0.112737D+02  0.634679D+01  0.131043D+01
      3  -0.337821D+01  0.333715D+00  0.490971D+01  0.662177D+01  0.882316D+01
               141           142           143           144           145 
      1  -0.119126D+02  0.846327D+00 -0.401821D+01 -0.304485D+01 -0.278527D+01
      2   0.123583D+01  0.682780D+01  0.303166D+01 -0.391634D+01  0.121145D+02
      3  -0.408590D+01  0.429660D+01 -0.266506D+01 -0.356843D+01 -0.136220D+02
               146           147           148           149           150 
      1   0.959822D-01  0.274257D+01 -0.674770D+00 -0.377043D+01 -0.379887D+01
      2  -0.128005D+01 -0.578729D+01 -0.283704D+01  0.283001D+01  0.542730D+01
      3   0.344750D+01  0.407626D+01  0.125512D+02  0.223318D+02 -0.255880D+01
               151           152           153           154           155 
      1   0.433443D+01  0.624944D+00  0.805845D+01 -0.124222D+01  0.634049D+00
      2  -0.144892D+02  0.407543D+01 -0.166019D+02 -0.123710D+01  0.771763D+00
      3   0.517271D+01 -0.294725D+01 -0.789790D+01 -0.750153D+01 -0.195211D+01
               156           157           158           159           160 
      1   0.301371D+01  0.374531D+00 -0.150581D+01 -0.337494D+01  0.129289D+01
      2   0.381959D+01  0.336619D+00 -0.993252D+00 -0.228745D+01 -0.167424D+00
      3   0.271406D+00  0.441273D+01  0.843944D+00  0.648230D+00  0.560964D+00
               161           162           163           164           165 
      1  -0.252547D+00  0.382639D+00  0.369420D+01  0.421446D+01  0.408704D+01
      2  -0.772634D+00  0.163219D+00 -0.103658D+02 -0.173927D+01 -0.321822D+01
      3   0.121649D+01 -0.359980D+00 -0.336247D+01 -0.291520D+01 -0.224773D+01
               166           167           168           169           170 
      1   0.184604D+01  0.193890D+01  0.225904D+00  0.354822D+01  0.349994D+01
      2  -0.252995D+01 -0.959030D+00 -0.152804D+01 -0.736754D+01 -0.138882D+01
      3   0.587476D+00 -0.157919D+00 -0.426924D+00 -0.155913D+01 -0.183316D+01
               171           172           173           174           175 
      1   0.364106D+01 -0.154925D+01 -0.478260D+01  0.453249D+00 -0.237445D+01
      2  -0.276063D+01  0.950046D+01  0.354810D+01 -0.396048D+01  0.439126D+01
      3  -0.156943D+01  0.448671D+01  0.367492D+00 -0.243756D+01  0.405708D+01
               176           177           178           179           180 
      1  -0.370967D+01 -0.414976D+00  0.105017D+01  0.295281D+01 -0.535523D+00
      2   0.354419D+01 -0.401267D+01 -0.539134D+01 -0.315577D+01  0.382295D+01
      3   0.833404D+00 -0.206152D+01 -0.256286D+01 -0.278814D+00  0.215328D+01
               181           182           183           184           185 
      1   0.610067D+01  0.430053D+01  0.122033D+01  0.311531D+01  0.161058D+01
      2  -0.181686D+02 -0.425504D+01 -0.336549D+01 -0.587776D+01 -0.221433D+01
      3  -0.274899D+01 -0.144716D+01 -0.111963D+01  0.931840D+00 -0.210163D+00
               186           187           188           189           190 
      1   0.786888D+00  0.222125D+01  0.289190D+01  0.234259D+01 -0.242321D+00
      2  -0.436720D+00 -0.730805D+01 -0.102735D+01 -0.465397D+01 -0.749488D+00
      3   0.682232D-01 -0.767515D+00 -0.651975D+00 -0.637278D+00 -0.708650D+00
               191           192           193           194           195 
      1  -0.773379D+00 -0.639034D+00 -0.179820D+01 -0.158299D+02  0.528586D+00
      2   0.874936D+00 -0.196626D+00  0.313827D+01 -0.217477D+01  0.300582D+01
      3  -0.739820D+00 -0.479771D+00  0.323936D+01 -0.975826D+01  0.382498D+01
               196           197           198           199           200 
      1  -0.223018D-01  0.319056D+01 -0.158656D+01  0.543662D+01 -0.477724D+01
      2  -0.158051D+01  0.678254D+00 -0.564514D+00  0.605656D+01 -0.181601D+01
      3  -0.478924D+00  0.123316D+01 -0.994031D+00  0.432972D+01 -0.440984D+01
               201           202           203           204           205 
      1  -0.424423D+01 -0.277910D+01  0.239140D+01  0.286440D+01 -0.344061D+01
      2   0.606380D+00 -0.319391D+01 -0.704606D-01 -0.128541D+01 -0.506794D+01
      3  -0.352246D+01 -0.150441D+01  0.187879D+01  0.239372D+01 -0.255089D+01
               206           207           208           209           210 
      1   0.391751D+01  0.485581D+01 -0.190833D+01  0.123202D+00 -0.131441D+01
      2   0.150212D+00 -0.124530D+00  0.257484D+01  0.937868D+00  0.430598D+01
      3   0.233370D+01  0.319493D+01  0.225783D+01 -0.123488D+01  0.955393D+00
               211           212           213           214           215 
      1  -0.150822D+00 -0.813073D+00  0.103485D+01 -0.138510D+01  0.430170D+01
      2   0.163388D+01  0.216640D+01 -0.349310D+01  0.143646D+01 -0.269557D+01
      3  -0.507831D+00 -0.338397D-01 -0.200485D+01  0.883236D+00 -0.430437D+01
               216           217           218           219           220 
      1  -0.856495D+01  0.228930D+01 -0.633242D+00 -0.159812D+01 -0.510579D+00
      2   0.204826D+02 -0.914959D+01  0.131734D+01  0.904672D+01  0.285278D+01
      3   0.401841D+01  0.117367D+02 -0.674773D+01 -0.341523D+01 -0.546460D+01
               221           222           223           224           225 
      1   0.819447D+00 -0.265062D+00 -0.199464D+01  0.115359D+01  0.712657D+00
      2  -0.204272D+01 -0.405550D+01  0.590005D+01 -0.127500D+01 -0.552125D+01
      3   0.255020D+01  0.220564D+01 -0.501039D+01  0.444795D+01  0.360169D+01
               226           227           228           229           230 
      1   0.745071D+00  0.346273D+00 -0.777569D-01  0.452159D+00  0.369317D+01
      2  -0.118687D+01 -0.369648D+00  0.138258D+01 -0.209707D+00 -0.165935D+01
      3  -0.170133D+01 -0.174217D+01 -0.473307D+00 -0.210654D+01 -0.244477D+02
               231           232           233           234 
      1  -0.491313D+01 -0.426580D+00 -0.497087D-01  0.326550D+00
      2   0.400464D+01  0.933652D+00  0.150974D+01  0.223985D+00
      3   0.976775D+00 -0.983072D+00  0.184958D+01 -0.147631D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1  -0.164885D+02  0.406584D+01 -0.245332D+01  0.744028D+01 -0.276983D+02
      2   0.115771D+02 -0.127767D+01  0.278682D+01  0.944516D-01  0.328856D+02
      3   0.491141D+01 -0.278817D+01 -0.333507D+00 -0.753473D+01 -0.518727D+01
      4  -0.684275D+01  0.942764D+00 -0.117987D+02 -0.334842D+01  0.503041D+02
      5  -0.175362D+02 -0.757381D+01 -0.574745D+01 -0.121674D+02  0.415299D+01
      6  -0.544158D+01 -0.825492D+01 -0.541926D+01 -0.525174D+01  0.639219D+01
                 6             7             8             9            10 
      1  -0.128744D+02 -0.476972D+01 -0.143299D+02 -0.183795D+02  0.341405D+01
      2   0.973835D+01  0.259029D+01  0.180402D+01  0.235519D+01  0.868462D+00
      3   0.313600D+01  0.217943D+01  0.125259D+02  0.160243D+02 -0.428252D+01
      4   0.399687D+01 -0.200585D+02  0.188369D+01  0.109110D+02 -0.239763D+01
      5   0.531725D+01 -0.443266D+01  0.675410D+01  0.906796D+01  0.253593D+01
      6   0.724676D+01 -0.366433D+01  0.117228D+02  0.561299D+01  0.134668D+01
                11            12            13            14            15 
      1  -0.500705D+01 -0.998325D+01  0.113782D+01  0.407669D+02  0.278433D+01
      2  -0.400925D+01  0.100285D+02 -0.597420D+01 -0.598207D+02  0.645954D+01
      3   0.901630D+01 -0.452643D-01  0.483638D+01  0.190538D+02 -0.924387D+01
      4   0.341227D+01  0.410791D+01  0.865801D+01 -0.188050D+02  0.433691D+01
      5   0.135631D+01 -0.152726D+01  0.327366D+01  0.301566D+00  0.261934D+01
      6   0.156644D+02  0.124949D+02  0.664065D+01  0.512810D+01 -0.607495D+01
                16            17            18            19            20 
      1  -0.993500D+01 -0.651710D+00  0.207986D+02  0.165372D+02 -0.225046D+01
      2   0.577565D+01  0.224629D+02 -0.757717D+01 -0.131216D+02 -0.136239D+01
      3   0.415934D+01 -0.218112D+02 -0.132214D+02 -0.341559D+01  0.361285D+01
      4   0.442790D+01  0.824364D+01  0.405048D+01 -0.551965D+01  0.690756D+01
      5   0.368463D+00  0.554452D+01  0.644976D+01  0.180212D+01  0.833976D+01
      6   0.120979D+02 -0.202022D+02 -0.261646D+02 -0.236856D+01 -0.616340D+01
                21            22            23            24            25 
      1   0.458958D+01  0.574419D+00  0.119864D+02  0.114782D+02 -0.285741D+01
      2  -0.360169D+01 -0.196104D+01 -0.755902D+01 -0.171673D+01 -0.721459D+00
      3  -0.987886D+00  0.138662D+01 -0.442743D+01 -0.976148D+01  0.357887D+01
      4   0.594589D+01  0.195650D+01 -0.533085D+02 -0.148688D+02 -0.128632D+01
      5   0.485585D+01  0.492001D+01 -0.100612D+02 -0.104264D+02  0.140486D+02
      6   0.954152D-01 -0.955587D+00 -0.743965D+01 -0.117358D+01 -0.101534D+01
                26            27            28            29            30 
      1   0.983446D+01  0.111240D+02 -0.337988D+02 -0.132480D+01 -0.157779D+02
      2  -0.987557D+01 -0.125069D+02  0.257614D+02 -0.638704D+01  0.102680D+02
      3   0.411027D-01  0.138287D+01  0.803734D+01  0.771184D+01  0.550991D+01
      4  -0.167598D+02 -0.129520D+02 -0.228813D+01  0.123198D+01 -0.105482D+02
      5  -0.101576D+02 -0.134834D+02 -0.114201D+02 -0.144652D+02 -0.158742D+02
      6   0.479289D+01 -0.497811D+01  0.195892D+01  0.846874D+01  0.677671D+01
                31            32            33            34            35 
      1  -0.147992D+02  0.111137D+02 -0.168642D+02 -0.184994D+02 -0.206743D+02
      2   0.663959D+01 -0.238535D+02  0.163115D+02  0.724830D+01  0.249990D+02
      3   0.815958D+01  0.127397D+02  0.552664D+00  0.112511D+02 -0.432472D+01
      4  -0.417066D+01  0.377194D+02  0.195554D+01 -0.125913D+02  0.962930D+00
      5  -0.138852D+02 -0.425744D+01  0.997544D+01 -0.263128D+02  0.239801D+02
      6   0.241163D+01  0.120840D+02 -0.762371D+01  0.127437D+02 -0.169174D+02
                36            37            38            39            40 
      1  -0.134075D+02 -0.110588D+02 -0.363251D+01  0.103790D+01 -0.126121D+02
      2   0.101507D+02  0.828504D+01  0.336520D+01 -0.225868D+01  0.107006D+01
      3   0.325676D+01  0.277372D+01  0.267303D+00  0.122078D+01  0.115420D+02
      4   0.210631D+02  0.542452D+01  0.249700D+01  0.439446D+01  0.152008D+01
      5   0.299631D+02  0.386054D+01 -0.470604D+00  0.386715D+00 -0.803341D+00
      6  -0.168756D+02  0.616620D+01  0.449215D+00  0.318718D+01 -0.457409D-01
                41            42            43            44            45 
      1   0.204153D+02  0.416009D+01  0.902571D+01  0.116263D+02  0.780020D+00
      2  -0.126804D+02 -0.957413D+01 -0.261823D+01 -0.136001D+02  0.387802D+01
      3  -0.773491D+01  0.541404D+01 -0.640747D+01  0.197383D+01 -0.465804D+01
      4  -0.778878D+01 -0.137323D+01  0.838948D+01 -0.518409D-01  0.141095D+01
      5   0.121181D+01  0.472697D+01 -0.488252D+01  0.108426D+01 -0.926756D+00
      6  -0.130248D+02 -0.172738D+02 -0.465380D+00 -0.100467D+02  0.286527D+01
                46            47            48            49            50 
      1   0.203273D+01 -0.772435D+01 -0.132831D+02 -0.967747D+01 -0.449839D+01
      2  -0.771143D+01  0.189221D+01  0.998418D+01  0.802459D+01  0.447810D+01
      3   0.567871D+01  0.583214D+01  0.329887D+01  0.165288D+01  0.202969D-01
      4  -0.139253D+02  0.346865D+01 -0.859413D+01  0.574431D+01  0.179485D+02
      5  -0.162034D+02 -0.420525D+01  0.790804D+01  0.107771D+01 -0.588426D+01
      6  -0.909800D+01 -0.220996D+00  0.123812D+01 -0.892868D+00 -0.374482D+01
                51            52            53            54            55 
      1  -0.533456D+01 -0.190033D+02 -0.725377D+01  0.921689D+01 -0.102626D+02
      2  -0.219789D+01  0.103259D+02  0.327259D+01 -0.519728D+01 -0.436126D+01
      3   0.753244D+01  0.867741D+01  0.398118D+01 -0.401961D+01  0.146239D+02
      4  -0.755721D+01 -0.709435D+01 -0.862597D+01  0.220565D+01  0.220985D+02
      5  -0.391634D+01  0.105063D+02 -0.531200D+00  0.337915D+01  0.223720D+00
      6   0.776698D+01  0.515950D+01 -0.199235D-01  0.259927D+01  0.171670D+01
                56            57            58            59            60 
      1   0.792698D+01  0.341609D+01  0.405322D+01 -0.129116D+02  0.264097D+01
      2   0.502617D+01 -0.985424D+01  0.414138D+01  0.920046D+01 -0.544444D+00
      3  -0.129531D+02  0.643815D+01 -0.819461D+01  0.371119D+01 -0.209653D+01
      4  -0.236840D+02  0.152213D+01 -0.214003D+02  0.767475D+01  0.317869D+01
      5   0.174519D+01  0.436129D+00 -0.200054D+01  0.233158D+01  0.721011D+00
      6  -0.955458D+01 -0.554097D+01 -0.563333D+01  0.297104D+01 -0.264834D-01
                61            62            63            64            65 
      1   0.823565D+00  0.560557D+01  0.129219D+01  0.753314D+01  0.810772D+01
      2  -0.501690D+01 -0.735593D+01  0.786873D+01  0.677968D+01  0.119520D+01
      3   0.419334D+01  0.175035D+01 -0.916092D+01 -0.143128D+02 -0.930292D+01
      4   0.429643D+01  0.460288D+01 -0.712194D+01 -0.453010D+01 -0.563502D+00
      5   0.308166D+01 -0.192667D+01 -0.129585D+01 -0.329306D+01  0.387383D+01
      6  -0.479523D+01  0.596684D+01  0.667791D+01  0.696066D+01  0.143984D+02
                66            67            68            69            70 
      1  -0.320510D+01  0.119770D+02 -0.236243D+01 -0.180034D+01  0.152375D+01
      2   0.145460D+02  0.386208D+01 -0.237218D+01 -0.211682D+01  0.105993D+02
      3  -0.113409D+02 -0.158390D+02  0.473461D+01  0.391716D+01 -0.121231D+02
      4   0.318915D+01  0.248724D+01 -0.305767D+01  0.856284D+01 -0.228490D+01
      5  -0.185617D+02  0.159290D+01  0.569396D+01 -0.138847D+02 -0.135505D+02
      6  -0.107435D+02  0.127911D+02 -0.460449D+01  0.476566D+01 -0.477145D+01
                71            72            73            74            75 
      1  -0.674599D+01 -0.426758D+01  0.350997D+02  0.949740D+01  0.102587D+02
      2   0.481664D+01 -0.841340D+00 -0.195260D+02 -0.422237D+01 -0.928337D+01
      3   0.192934D+01  0.510892D+01 -0.155737D+02 -0.527503D+01 -0.975322D+00
      4   0.537041D+01 -0.483483D+00  0.270792D+02  0.153663D+02  0.116776D+02
      5  -0.608237D+01 -0.498961D+01  0.235200D+02  0.908794D+01  0.171858D+02
      6  -0.412727D+00  0.189240D+01  0.781222D+01  0.526626D+01  0.590433D+01
                76            77            78            79            80 
      1   0.464289D+01  0.366972D+00 -0.563946D+00  0.119693D+02  0.317670D+01
      2  -0.741485D+00  0.268418D+01  0.336328D+00 -0.833042D+01  0.884241D+00
      3  -0.390141D+01 -0.305116D+01  0.227617D+00 -0.363886D+01 -0.406094D+01
      4   0.132631D+02  0.123041D+02  0.861223D+01  0.136949D+02  0.129225D+02
      5   0.630217D+01  0.769384D+01  0.666093D+01  0.149880D+02  0.535535D+01
      6   0.489124D+01  0.662700D+01  0.572289D+01  0.600081D+01  0.495560D+01
                81            82            83            84            85 
      1   0.519142D+01 -0.121706D+01 -0.493244D+01  0.370454D+00 -0.199562D+01
      2  -0.548942D+01  0.671231D+01  0.124110D+02 -0.525975D+00  0.728560D+01
      3   0.297996D+00 -0.549525D+01 -0.747856D+01  0.155521D+00 -0.528998D+01
      4   0.794892D+01  0.584272D+01  0.141517D+02 -0.137918D+01  0.828644D+01
      5   0.107985D+02 -0.317838D+00  0.486219D+00  0.234174D+01 -0.233483D-01
      6   0.509212D+01 -0.141385D+01 -0.108913D+01 -0.126058D+00 -0.432751D+00
                86            87            88            89            90 
      1  -0.457467D+02  0.222001D+01  0.142109D+01  0.122481D+02 -0.765920D+01
      2   0.820273D+02 -0.604007D+01 -0.215024D+01 -0.243199D+02  0.808329D+01
      3  -0.362805D+02  0.382006D+01  0.729153D+00  0.120718D+02 -0.424092D+00
      4   0.199531D+02 -0.195204D+01 -0.330409D+01 -0.592450D+01  0.206625D+01
      5   0.101244D+00  0.677364D+00  0.162543D+01  0.894014D+00 -0.157295D+01
      6  -0.509018D+01  0.873541D+01 -0.597611D+00  0.142994D+02 -0.237662D+01
                91            92            93            94            95 
      1  -0.208945D+01  0.355912D+01  0.528043D+01  0.153656D+01 -0.143933D+02
      2  -0.145596D+01 -0.201391D+01 -0.225112D+01 -0.149024D+01  0.156771D+02
      3   0.354541D+01 -0.154521D+01 -0.302931D+01 -0.463195D-01 -0.128383D+01
      4  -0.338787D+01  0.516948D+01  0.482153D+01  0.137512D+01  0.104832D+01
      5  -0.310453D+01  0.339386D+01  0.683331D+01  0.829264D+00 -0.921134D+00
      6   0.582238D+01 -0.686402D+01 -0.831181D+01 -0.337991D+01  0.108389D+02
                96            97            98            99           100 
      1  -0.821432D+01  0.700391D+01 -0.178981D+02 -0.271918D+02  0.679520D+02
      2   0.585874D+01 -0.147934D+01  0.793200D+01  0.185500D+01 -0.375909D+02
      3   0.235558D+01 -0.552457D+01  0.996615D+01  0.253368D+02 -0.303611D+02
      4  -0.130553D+01  0.381157D+01 -0.181659D+01 -0.191425D+01 -0.103905D+02
      5  -0.119537D+01  0.575694D+01 -0.278018D+01 -0.405696D+01  0.163119D+02
      6   0.129850D+02 -0.744834D+01  0.268343D+02  0.381781D+02 -0.531140D+01
               101           102           103           104           105 
      1   0.208632D+01  0.151745D+02  0.208193D+02  0.368607D+01  0.469900D+01
      2  -0.315322D+01 -0.940335D+01 -0.122655D+02 -0.103559D+01 -0.416195D+01
      3   0.106690D+01 -0.577115D+01 -0.855385D+01 -0.265048D+01 -0.537048D+00
      4   0.912963D+01 -0.200425D+01  0.463116D+01  0.365512D+01  0.256976D+01
      5   0.263659D+00  0.147307D+02  0.490135D+01  0.305634D+01  0.412065D+01
      6  -0.136804D+00 -0.494458D+01 -0.587591D+00 -0.813835D+00  0.713694D+00
               106           107           108           109           110 
      1   0.260154D+02  0.676429D+00  0.111774D+02  0.147353D+02 -0.488123D+01
      2  -0.160885D+02 -0.310034D+01 -0.956080D+01 -0.101659D+02  0.304216D+01
      3  -0.992690D+01  0.242391D+01 -0.161660D+01 -0.456938D+01  0.183907D+01
      4  -0.521017D+01  0.544209D+01 -0.271916D+01 -0.894645D+01  0.619560D+01
      5   0.173706D+02 -0.913982D+00  0.997951D+01 -0.117223D+02  0.735303D+01
      6  -0.424430D+01  0.253613D+01 -0.185241D+01  0.485499D+01 -0.361269D+01
               111           112           113           114           115 
      1  -0.727415D+01 -0.207572D+01 -0.516728D+00  0.171171D+01 -0.161821D+02
      2   0.510483D+01 -0.382960D+00  0.505786D+01 -0.147279D+00  0.122139D+02
      3   0.216932D+01  0.245868D+01 -0.454113D+01 -0.156443D+01  0.396813D+01
      4   0.802858D+01  0.110494D+02 -0.167361D+02 -0.926725D+01  0.200711D+02
      5   0.149294D+02  0.648146D+01 -0.826079D+01 -0.975863D+01  0.266853D+02
      6  -0.555378D+01 -0.419405D+01  0.500616D+01  0.987675D+01 -0.118066D+02
               116           117           118           119           120 
      1   0.630676D+01  0.413731D+01 -0.631533D+00 -0.881067D+01  0.388859D+01
      2  -0.460190D+01 -0.135464D+02  0.116897D+01  0.109128D+02 -0.242217D+01
      3  -0.170487D+01  0.940911D+01 -0.537436D+00 -0.210216D+01 -0.146643D+01
      4  -0.200047D+02 -0.201544D+02  0.204195D+00 -0.252711D+01  0.201653D+00
      5  -0.220756D+02 -0.443879D+02  0.174078D+01  0.182026D+01  0.135279D+01
      6   0.165729D+02  0.241398D+02 -0.159756D+01 -0.318896D+01  0.125746D+01
               121           122           123           124           125 
      1  -0.813174D+01 -0.203822D+02  0.731401D+01  0.552286D+01  0.100028D+02
      2   0.541318D+00  0.430205D+02 -0.944648D+01 -0.110000D+01 -0.155953D+02
      3   0.759043D+01 -0.226383D+02  0.213247D+01 -0.442286D+01  0.559247D+01
      4   0.150817D+02 -0.436894D+02  0.691530D+01 -0.367259D+01  0.133608D+02
      5   0.278076D+00  0.100104D+02 -0.892620D+01  0.653905D+01 -0.121429D+02
      6   0.221711D+01 -0.152634D+02  0.100457D+02 -0.342299D+01  0.142298D+02
               126           127           128           129           130 
      1  -0.326461D+01  0.518044D+00 -0.100015D+01 -0.301637D+00  0.371147D+00
      2   0.366006D+01  0.189188D+01  0.687849D+00  0.460941D+00 -0.141026D+01
      3  -0.395444D+00 -0.240992D+01  0.312302D+00 -0.159304D+00  0.103911D+01
      4  -0.952115D+01 -0.647658D+00  0.773713D+01  0.211926D+01  0.738662D+01
      5   0.194870D+01 -0.993227D+00  0.341473D+01  0.373583D+01  0.350992D+01
      6  -0.525838D+01  0.367515D+01 -0.158900D+00  0.912726D+00 -0.303143D+01
               131           132           133           134           135 
      1  -0.219075D+02 -0.105203D+02  0.282165D+00 -0.868995D+01 -0.998776D+01
      2   0.266392D+02  0.772526D+01  0.486308D+00  0.640261D+01  0.171653D+01
      3  -0.473171D+01  0.279508D+01 -0.768473D+00  0.228734D+01  0.827123D+01
      4  -0.145982D+01 -0.130591D+01  0.204955D+01 -0.126626D+01  0.286130D+00
      5  -0.205030D+01 -0.100768D+01  0.310477D+01 -0.839494D+00 -0.203730D+01
      6   0.246908D+02  0.164745D+02 -0.941637D+00  0.149168D+02  0.110290D+02
               136           137           138           139           140 
      1   0.602790D+01  0.605661D+01  0.111161D+02  0.899138D+01  0.125433D+02
      2   0.148434D+02 -0.501866D+01 -0.100263D+02 -0.976853D+01 -0.177369D+02
      3  -0.208713D+02 -0.103796D+01 -0.108981D+01  0.777149D+00  0.519365D+01
      4   0.913625D+01  0.298093D+01  0.232167D+01  0.384882D+00 -0.147674D+02
      5   0.128468D+02 -0.749051D+01 -0.201620D+02 -0.111070D+02  0.595881D+01
      6  -0.538301D+01  0.264182D+01  0.391200D+01  0.505420D+01  0.261935D+02
               141           142           143           144           145 
      1  -0.187200D+01  0.955259D+01  0.150326D+01 -0.135751D+02 -0.174956D+02
      2   0.157663D+02 -0.872329D+01  0.903199D+01  0.189169D+01  0.137636D+02
      3  -0.138943D+02 -0.829295D+00 -0.105353D+02  0.116834D+02  0.373205D+01
      4   0.670597D+01  0.379136D+01  0.466997D+01  0.152948D+01  0.198340D+02
      5   0.807598D+01 -0.197946D+02  0.437145D+01  0.419878D+01  0.237802D+02
      6  -0.884151D+01  0.124995D+01 -0.341531D+01 -0.110789D+02  0.684263D+01
               146           147           148           149           150 
      1   0.166259D+02  0.228585D+02  0.270470D+02  0.113201D+02 -0.293292D+01
      2  -0.101450D+02 -0.104535D+02 -0.202923D+02 -0.263956D+02  0.353321D+01
      3  -0.648092D+01 -0.124050D+02 -0.675474D+01  0.150755D+02 -0.600291D+00
      4   0.170970D+01  0.363398D+01 -0.470328D+01 -0.329970D+02  0.635406D+01
      5   0.122911D+01 -0.943198D+01 -0.143140D+01  0.576197D+01  0.913440D+01
      6   0.505807D+00 -0.197975D+01  0.341264D+00 -0.104239D+01  0.268387D+01
               151           152           153           154           155 
      1   0.275297D+02 -0.240920D+01 -0.126192D+02  0.221625D+02 -0.822187D+01
      2  -0.112721D+02  0.320433D+01  0.141009D+02 -0.433736D+00 -0.798872D+01
      3  -0.162576D+02 -0.795129D+00 -0.148175D+01 -0.217288D+02  0.162106D+02
      4   0.205303D+01  0.652369D+01  0.552938D+01 -0.332066D+02  0.286082D+02
      5  -0.145915D+02  0.702325D+01 -0.231879D+02  0.270502D+01 -0.242451D+01
      6  -0.368826D+01  0.373910D+01 -0.741600D+01 -0.318008D+01  0.334100D+01
               156           157           158           159           160 
      1  -0.634168D+00 -0.397113D+01 -0.769587D+00  0.121372D+00 -0.684688D+00
      2   0.864698D+00 -0.890464D+01  0.171365D+02  0.822328D+00  0.714265D+00
      3  -0.230531D+00  0.128758D+02 -0.163669D+02 -0.943699D+00 -0.295769D-01
      4  -0.946480D+00  0.230526D+02 -0.249181D+02  0.187483D+00 -0.198689D+00
      5   0.606875D+01 -0.180571D+01  0.130723D+01 -0.231774D+01  0.590473D+01
      6  -0.349854D+01  0.258640D+01 -0.312922D+01  0.519327D+01 -0.387179D+01
               161           162           163           164           165 
      1   0.105485D+00  0.135726D-01  0.266188D+01  0.145614D+01 -0.509408D+01
      2   0.139407D+01  0.307563D+00 -0.130525D+02 -0.188543D+01 -0.147828D+02
      3  -0.149956D+01 -0.321136D+00  0.103906D+02  0.429284D+00  0.198769D+02
      4  -0.475518D+00 -0.481050D+01 -0.119770D+01  0.386203D+01 -0.244383D+01
      5  -0.399150D+01  0.161301D+00  0.181977D+02  0.336954D+00  0.195841D+02
      6   0.613372D+01 -0.222343D+01 -0.360479D+01  0.287574D+01 -0.440565D+01
               166           167           168           169           170 
      1  -0.129121D+01 -0.725292D+00 -0.172988D+01 -0.248610D+01  0.737049D+00
      2  -0.213286D+01 -0.209094D+01 -0.314369D+01 -0.118355D+02 -0.124951D+01
      3   0.342407D+01  0.281624D+01  0.487357D+01  0.143216D+02  0.512463D+00
      4   0.285543D+01  0.463762D+00  0.139001D+01 -0.145829D+01  0.206084D+01
      5   0.161431D+01  0.311554D+01  0.296624D+01  0.167864D+02  0.149685D+01
      6   0.196941D+01  0.108584D+01  0.516590D+01 -0.194450D+01  0.535004D+01
               171           172           173           174           175 
      1  -0.134074D+02 -0.252138D+01 -0.632568D+01  0.922381D+01 -0.455751D+01
      2  -0.205027D+02 -0.344951D+01  0.144476D+01  0.366539D+01  0.453843D+00
      3   0.339101D+02  0.597089D+01  0.488092D+01 -0.128892D+02  0.410367D+01
      4  -0.181003D+01  0.614357D+01  0.548802D+01 -0.570907D+01  0.495980D+01
      5   0.213093D+02 -0.130209D+02 -0.658372D+01  0.141015D+02 -0.611906D+01
      6  -0.601046D+01 -0.914368D+01 -0.117912D+02  0.132245D+02 -0.832693D+01
               176           177           178           179           180 
      1  -0.908492D+01  0.947487D+01  0.402503D+01  0.691170D+01 -0.121686D+02
      2   0.692542D+01 -0.268398D-02  0.175230D+01 -0.919144D-02 -0.667318D+01
      3   0.215950D+01 -0.947218D+01 -0.577733D+01 -0.690251D+01  0.188418D+02
      4   0.399870D+01 -0.383731D+01 -0.252470D+01 -0.291113D+01  0.299429D+01
      5  -0.567171D+01  0.661419D+01  0.971392D+01  0.448287D+01 -0.849789D+01
      6  -0.129868D+02  0.139747D+02  0.642893D+01  0.101056D+02 -0.143386D+02
               181           182           183           184           185 
      1  -0.431957D+01 -0.223365D+00 -0.118237D+02 -0.229771D+01 -0.306393D+01
      2  -0.463935D+01 -0.532745D+00 -0.576839D+01  0.110009D+01  0.218566D+01
      3   0.895892D+01  0.756110D+00  0.175921D+02  0.119761D+01  0.878278D+00
      4  -0.766964D+01 -0.892736D+00 -0.260669D+01 -0.594223D+00  0.329522D+00
      5   0.116872D+02  0.228538D+01  0.624179D+01  0.435835D+01  0.671468D+00
      6   0.203022D+01  0.492954D+01 -0.310279D+01  0.220217D+01 -0.199125D+00
               186           187           188           189           190 
      1  -0.330329D+01 -0.633191D+01 -0.157753D+01 -0.765076D+01 -0.631513D+00
      2  -0.405280D+01 -0.346220D+01 -0.176700D+01 -0.679453D+01  0.439199D+00
      3   0.735609D+01  0.979411D+01  0.334453D+01  0.144453D+02  0.192314D+00
      4  -0.873171D+00 -0.277800D+01  0.146812D+00 -0.240307D+01  0.224730D+01
      5  -0.104918D+01  0.932026D+01  0.638823D+00  0.513882D+01 -0.307755D+01
      6   0.260324D+01 -0.314462D-01  0.367097D+01  0.933637D+00 -0.272708D+01
               191           192           193           194           195 
      1   0.146216D+01 -0.123489D+01  0.642494D+00 -0.210541D+02  0.119068D+02
      2  -0.770225D-01  0.160779D+01  0.168550D+01  0.298882D+02 -0.591875D+01
      3  -0.138514D+01 -0.372896D+00 -0.232799D+01 -0.883406D+01 -0.598803D+01
      4   0.640976D+01 -0.223740D+01  0.908468D+01  0.178526D+02 -0.664057D+01
      5  -0.285785D+01  0.532621D+01 -0.519098D+01 -0.630839D+01  0.582018D+01
      6  -0.189000D+01  0.622929D+00 -0.444540D+01 -0.349629D+02  0.200199D+02
               196           197           198           199           200 
      1  -0.527245D+00  0.474227D+01 -0.478346D+01  0.145574D+02 -0.274658D+01
      2   0.141406D+01 -0.795235D+00  0.713085D+00 -0.198756D+02  0.356767D+01
      3  -0.886815D+00 -0.394703D+01  0.407038D+01  0.531816D+01 -0.821085D+00
      4  -0.832333D+00 -0.211877D+01  0.249858D+01 -0.894780D+00  0.532553D+01
      5   0.383824D+01  0.195002D+01 -0.296932D+01 -0.280748D+02  0.443995D+01
      6   0.931424D+00  0.106089D+02 -0.657517D+01  0.320839D+01 -0.646258D+01
               201           202           203           204           205 
      1  -0.311215D+01 -0.500127D+01 -0.204845D+00 -0.244785D+00 -0.279629D+01
      2   0.169341D+02  0.703356D+01 -0.782741D+00 -0.852118D+01  0.121447D+02
      3  -0.138220D+02 -0.203229D+01  0.987586D+00  0.876597D+01 -0.934845D+01
      4   0.566299D-01  0.438796D+01 -0.257564D+01 -0.420599D+01 -0.805935D+00
      5   0.265493D+02  0.110914D+02 -0.631530D+01 -0.108613D+02  0.195826D+02
      6  -0.977625D+00 -0.522389D+01  0.202496D+01  0.637840D+01 -0.174186D+01
               206           207           208           209           210 
      1   0.137592D+00 -0.266065D+01  0.791227D+01 -0.225047D+01  0.467043D+01
      2  -0.383550D+01 -0.164028D+02 -0.733925D+01  0.135527D+01 -0.555223D+01
      3   0.369791D+01  0.190635D+02 -0.573028D+00  0.895201D+00  0.881803D+00
      4  -0.291824D+01 -0.106161D+01 -0.884024D+00  0.147177D+01  0.859804D+00
      5  -0.391057D+01 -0.217286D+02  0.702953D+01 -0.620712D+00  0.130943D+02
      6   0.577315D+01  0.181809D+01  0.725904D+00  0.401579D+00  0.211815D+01
               211           212           213           214           215 
      1  -0.689257D+01 -0.126952D+01 -0.622088D+00  0.123133D+02  0.911548D+00
      2   0.445842D+01  0.168841D+01  0.166047D+01 -0.995696D+01  0.174452D+01
      3   0.243415D+01 -0.418895D+00 -0.103838D+01 -0.235634D+01 -0.265607D+01
      4   0.226487D+01  0.133733D+01  0.359345D+01  0.463893D+01  0.745234D+01
      5  -0.192693D+01  0.296541D+01 -0.448304D+01  0.194716D+02 -0.679532D+00
      6   0.617527D+00 -0.212119D+00  0.264417D+01  0.472008D+01  0.433111D+01
               216           217           218           219           220 
      1   0.349103D+01  0.616501D+02 -0.673110D+01 -0.149254D+02 -0.226309D+02
      2  -0.165481D+02 -0.332026D+02  0.497872D+01  0.844911D+01  0.129862D+02
      3   0.130571D+02 -0.284475D+02  0.175238D+01  0.647626D+01  0.964474D+01
      4   0.206364D+00 -0.175607D+00  0.907818D+01  0.589537D+00  0.948920D+01
      5   0.368523D+02 -0.151112D+02  0.163263D+01  0.133777D+02  0.490088D+01
      6   0.107471D+02 -0.330641D+01  0.339100D+00  0.312955D+01 -0.332134D-01
               221           222           223           224           225 
      1   0.518575D+01  0.410166D+01 -0.287400D+02  0.174617D+01  0.109311D+02
      2  -0.198885D+00 -0.282197D+01  0.159997D+02 -0.225390D+01 -0.927127D+01
      3  -0.498687D+01 -0.127969D+01  0.127403D+02  0.507736D+00 -0.165980D+01
      4  -0.256923D+01 -0.367443D+01 -0.761067D+00 -0.669393D+01 -0.152925D+01
      5  -0.346793D+01 -0.634771D+01  0.162465D+02 -0.217896D+01 -0.104675D+02
      6   0.565650D+00  0.554939D+00  0.250882D+01  0.791289D+00 -0.101916D+01
               226           227           228           229           230 
      1   0.542960D+01  0.460491D+01 -0.214337D+01  0.700744D+01 -0.122145D+02
      2  -0.200063D-01 -0.149885D+01  0.116391D+01  0.533364D+01  0.378709D+02
      3  -0.540960D+01 -0.310606D+01  0.979461D+00 -0.123411D+02 -0.256564D+02
      4   0.443395D+01  0.865236D+01 -0.546071D+00  0.220795D+02  0.476231D+02
      5  -0.188731D+01  0.289120D+00  0.200045D+01  0.132947D+01 -0.113565D+01
      6  -0.545033D+00  0.106459D+00 -0.269699D+00  0.119091D+01  0.356124D+01
               231           232           233           234 
      1   0.116014D+01 -0.451458D+01  0.854401D+00 -0.287626D+00
      2  -0.159747D+01  0.117087D+01 -0.269344D+01  0.117385D+01
      3   0.437332D+00  0.334371D+01  0.183904D+01 -0.886222D+00
      4  -0.101855D+01 -0.236301D+01 -0.407528D+01  0.378019D+01
      5   0.674440D+01  0.440702D+01  0.417457D+01  0.833766D+00
      6   0.719816D+01  0.214975D+01  0.581228D+01 -0.762399D+00
 Leave Link  716 at Fri Jul 16 21:25:41 2021, MaxMem=  5637144576 cpu:               0.8 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) frequency  1    0.093368:
                 1             2             3 
      1   0.125782D+03 -0.460208D+00  0.479139D+00
      2  -0.460208D+00  0.122129D+03  0.465578D+01
      3   0.479139D+00  0.465578D+01  0.109736D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.093368:
                 1             2             3 
      1  -0.177521D+00  0.323478D+01  0.533293D+01
      2   0.364279D+01  0.157342D+02 -0.401839D+01
      3   0.813348D+01 -0.233935D+02 -0.147948D+02
 Property number 4 -- D-Q polarizability frequency  1    0.093368:
                 1             2             3 
      1   0.123292D+02 -0.395551D+02  0.385610D+00
      2   0.523329D+01  0.201248D+02  0.730217D+01
      3  -0.175625D+02  0.194303D+02 -0.768778D+01
      4  -0.412137D+02  0.349721D+02  0.268152D+02
      5   0.139011D+02  0.242724D+02 -0.203676D+02
      6   0.101963D+02  0.187272D+02 -0.340827D+00
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    78 ND12= 1 LenFil=    2811:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1  -0.364012D+01  0.381367D+00 -0.164679D+01  0.236184D+01 -0.886276D+00
      2   0.381367D+00 -0.986484D+00 -0.253590D+01 -0.886276D+00  0.158075D+02
      3  -0.164679D+01 -0.253590D+01 -0.213854D+01 -0.206488D+01  0.306755D+01
                 6             7             8             9            10 
      1  -0.206488D+01 -0.121890D+01 -0.308214D+01 -0.173503D+01  0.898096D+00
      2   0.306755D+01 -0.308214D+01  0.213419D+01  0.360802D+01  0.387389D+00
      3   0.289048D+01 -0.173503D+01  0.360802D+01  0.530010D+01  0.360650D+00
                11            12            13            14            15 
      1   0.387389D+00  0.360650D+00  0.124719D+01  0.367494D+00  0.200524D+01
      2   0.104698D+01  0.325978D+01  0.367494D+00 -0.114050D+02  0.450264D+00
      3   0.325978D+01  0.269127D+01  0.200524D+01  0.450264D+00 -0.140126D+01
                16            17            18            19            20 
      1   0.895221D+00  0.297841D+01  0.270597D+01  0.258472D+01 -0.302742D+01
      2   0.297841D+01  0.217446D+01 -0.383045D+01 -0.302742D+01  0.162990D+01
      3   0.270597D+01 -0.383045D+01 -0.561736D+01 -0.611756D+00  0.114392D+01
                21            22            23            24            25 
      1  -0.611756D+00 -0.307638D+01  0.159623D+01  0.134607D+01 -0.128357D+01
      2   0.114392D+01  0.159623D+01 -0.160036D+02 -0.419797D+01  0.527871D+00
      3   0.736461D+00  0.134607D+01 -0.419797D+01 -0.403605D+01  0.151239D+01
                26            27            28            29            30 
      1   0.527871D+00  0.151239D+01 -0.497891D+01 -0.310436D+00 -0.118655D+01
      2  -0.437780D+01 -0.388664D+01 -0.310436D+00 -0.879072D+00 -0.277508D+01
      3  -0.388664D+01 -0.430067D+01 -0.118655D+01 -0.277508D+01 -0.262189D+01
                31            32            33            34            35 
      1  -0.188853D+01 -0.266464D+01 -0.264401D+01 -0.139695D+01 -0.275899D+01
      2  -0.266464D+01  0.981973D+01 -0.236874D+00 -0.275899D+01 -0.693677D+00
      3  -0.264401D+01 -0.236874D+00  0.173762D+01 -0.418519D+01  0.374027D+01
                36            37            38            39            40 
      1  -0.418519D+01  0.453912D+01  0.194917D+01 -0.236554D+01 -0.184907D+01
      2   0.374027D+01  0.194917D+01  0.976119D+00 -0.836806D+00 -0.623930D-01
      3   0.464493D+01 -0.236554D+01 -0.836806D+00  0.347500D+01 -0.184521D+01
                41            42            43            44            45 
      1  -0.623930D-01 -0.184521D+01 -0.546705D+01 -0.106512D+01  0.231426D+01
      2   0.442212D+01  0.387376D+01 -0.106512D+01  0.348200D+01  0.439493D+00
      3   0.387376D+01 -0.140410D+01  0.231426D+01  0.439493D+00  0.379906D+00
                46            47            48            49            50 
      1  -0.418382D+01  0.120694D+01  0.472166D+01  0.327387D+01 -0.164358D+01
      2   0.120694D+01 -0.154410D+01  0.530368D+00 -0.164358D+01 -0.765879D+01
      3   0.472166D+01  0.530368D+00 -0.173039D+01  0.104704D+01  0.152278D+01
                51            52            53            54            55 
      1   0.104704D+01  0.738558D+01  0.106208D+01 -0.156602D+01  0.294751D+01
      2   0.152278D+01  0.106208D+01  0.250227D+01  0.137599D+01 -0.386367D+01
      3   0.956240D+00 -0.156602D+01  0.137599D+01 -0.226535D+01 -0.144810D+01
                56            57            58            59            60 
      1  -0.386367D+01 -0.144810D+01 -0.356289D+01  0.471194D+01 -0.151783D+01
      2   0.440236D+01 -0.135735D+01  0.471194D+01  0.305348D+01 -0.247289D+01
      3  -0.135735D+01 -0.135657D+01 -0.151783D+01 -0.247289D+01  0.292665D+01
                61            62            63            64            65 
      1  -0.153748D+01 -0.166683D+01 -0.155804D+01  0.279402D+00 -0.964125D+00
      2  -0.166683D+01 -0.316840D+01  0.156140D+01 -0.964125D+00 -0.236517D+01
      3  -0.155804D+01  0.156140D+01  0.314491D+01  0.347963D+01  0.376999D+01
                66            67            68            69            70 
      1   0.347963D+01  0.465587D+00 -0.182385D+01  0.439576D+01  0.307868D+01
      2   0.376999D+01 -0.182385D+01  0.107861D+01 -0.889617D+00  0.285405D+01
      3   0.759489D+00  0.439576D+01 -0.889617D+00 -0.876809D+00  0.106237D+01
                71            72            73            74            75 
      1   0.285405D+01  0.106237D+01  0.788285D+01  0.259671D+01  0.327986D+01
      2  -0.588436D+00 -0.143172D+01  0.259671D+01  0.140450D+01  0.130515D+01
      3  -0.143172D+01 -0.234520D+00  0.327986D+01  0.130515D+01  0.239421D+01
                76            77            78            79            80 
      1   0.195425D+01  0.135078D+01  0.926201D+00  0.341557D+01  0.163621D+01
      2   0.135078D+01  0.212419D+01  0.148034D+01  0.163621D+01  0.204411D+01
      3   0.926201D+00  0.148034D+01  0.133702D+01  0.220823D+01  0.842216D+00
                81            82            83            84            85 
      1   0.220823D+01  0.888016D+00  0.139510D+01 -0.347632D+00  0.149658D+01
      2   0.842216D+00  0.139510D+01  0.211736D+01 -0.267413D+00  0.106015D+01
      3   0.141136D+01 -0.347632D+00 -0.267413D+00 -0.128511D+00 -0.288882D+00
                86            87            88            89            90 
      1   0.106015D+01 -0.288882D+00 -0.812884D+00 -0.722497D+00 -0.144509D+00
      2   0.133207D+02 -0.831690D+00 -0.722497D+00 -0.372426D+01  0.209417D+01
      3  -0.831690D+00  0.112692D+01 -0.144509D+00  0.209417D+01 -0.866339D-01
                91            92            93            94            95 
      1  -0.124891D+01  0.693680D+00  0.134685D+01  0.215597D+00 -0.700759D+00
      2   0.693680D+00 -0.864285D+00 -0.117122D+01 -0.700759D+00  0.359550D+01
      3   0.134685D+01 -0.117122D+01 -0.179059D+01 -0.517936D+00  0.197478D+01
                96            97            98            99           100 
      1  -0.517936D+00  0.170346D+01 -0.138018D+01 -0.165992D+01  0.876939D+01
      2   0.197478D+01 -0.138018D+01  0.374391D+01  0.433338D+01 -0.113841D+00
      3   0.169011D+01 -0.165992D+01  0.433338D+01  0.810492D+01  0.205596D+01
               101           102           103           104           105 
      1  -0.113841D+00  0.205596D+01  0.304609D+01  0.514570D+00  0.650078D+00
      2   0.979839D+00  0.118112D+00  0.514570D+00  0.378929D+00  0.449156D+00
      3   0.118112D+00  0.168699D+01  0.650078D+00  0.449156D+00  0.492065D+00
               106           107           108           109           110 
      1   0.380925D+01 -0.199354D+00  0.211747D+01  0.230644D+01 -0.862003D+00
      2  -0.199354D+00  0.862280D+00 -0.197832D+00 -0.862003D+00  0.415070D+00
      3   0.211747D+01 -0.197832D+00  0.115682D+01 -0.152263D+01  0.920606D+00
               111           112           113           114           115 
      1  -0.152263D+01 -0.818820D+00  0.170471D+01  0.101329D+01 -0.375944D+01
      2   0.920606D+00  0.170471D+01 -0.318618D+01 -0.146388D+01  0.288522D+01
      3   0.169849D+01  0.101329D+01 -0.146388D+01 -0.160134D+01  0.348081D+01
               116           117           118           119           120 
      1   0.288522D+01  0.348081D+01 -0.395757D+00 -0.348632D+00  0.474948D+00
      2  -0.330597D+01 -0.351261D+01 -0.348632D+00 -0.200987D+01  0.439347D+00
      3  -0.351261D+01 -0.717876D+01  0.474948D+00  0.439347D+00 -0.124822D+00
               121           122           123           124           125 
      1  -0.208943D+01  0.192590D+01  0.322929D+00  0.103046D+01 -0.142304D+00
      2   0.192590D+01 -0.101755D+02  0.166591D+01 -0.142304D+00  0.313076D+01
      3   0.322929D+00  0.166591D+01 -0.156367D+01  0.730578D+00 -0.221679D+01
               126           127           128           129           130 
      1   0.730578D+00  0.406704D+00 -0.999405D+00 -0.756069D-01 -0.181322D+01
      2  -0.221679D+01 -0.999405D+00 -0.334170D+00  0.906545D-01  0.724243D+00
      3   0.586327D+00 -0.756069D-01  0.906545D-01 -0.179448D+00  0.374211D+00
               131           132           133           134           135 
      1   0.724243D+00  0.374211D+00 -0.124892D+00  0.479192D+00  0.881452D-01
      2  -0.768803D+01 -0.323575D+01  0.479192D+00 -0.281013D+01 -0.208942D+01
      3  -0.323575D+01 -0.230371D+01  0.881452D-01 -0.208942D+01 -0.225279D+01
               136           137           138           139           140 
      1  -0.570260D+00 -0.239530D+01 -0.439960D+01 -0.316000D+01  0.965946D+00
      2  -0.239530D+01  0.556756D+00  0.254267D+00  0.965946D+00  0.653888D+01
      3  -0.439960D+01  0.254267D+00  0.117220D+01  0.342110D+00 -0.257348D+01
               141           142           143           144           145 
      1   0.342110D+00 -0.483174D+01  0.939646D-01  0.150701D+01  0.209804D+01
      2  -0.257348D+01  0.939646D-01 -0.163354D+01 -0.171496D+01 -0.270554D+01
      3  -0.181499D+01  0.150701D+01 -0.171496D+01  0.144577D+01 -0.376934D+01
               146           147           148           149           150 
      1  -0.270554D+01 -0.376934D+01 -0.409477D+01  0.160281D+01 -0.188371D+00
      2   0.310613D+00 -0.186886D+00  0.160281D+01  0.733695D+01 -0.985104D+00
      3  -0.186886D+00  0.159233D+01 -0.188371D+00 -0.985104D+00 -0.184996D+01
               151           152           153           154           155 
      1  -0.468248D+01 -0.430959D-01  0.223902D+01 -0.683253D+01  0.429624D+01
      2  -0.430959D-01 -0.126057D+01 -0.153997D+01  0.429624D+01 -0.415119D+01
      3   0.223902D+01 -0.153997D+01  0.455704D+01  0.774211D-01  0.266330D+00
               156           157           158           159           160 
      1   0.774211D-01  0.329447D+01 -0.336938D+01  0.362323D+00  0.297684D+00
      2   0.266330D+00 -0.336938D+01  0.429722D+01  0.674072D-01  0.272793D+00
      3  -0.825535D+00  0.362323D+00  0.674072D-01  0.532438D+00 -0.894481D+00
               161           162           163           164           165 
      1   0.272793D+00 -0.894481D+00 -0.393808D+01 -0.330312D+00 -0.312417D+01
      2   0.263727D+00  0.886635D+00 -0.330312D+00 -0.658358D+00 -0.139892D+00
      3   0.886635D+00 -0.223278D+00 -0.312417D+01 -0.139892D+00 -0.413421D+01
               166           167           168           169           170 
      1  -0.828554D+00 -0.641241D+00 -0.643952D+00 -0.264320D+01 -0.248273D+00
      2  -0.641241D+00 -0.407370D+00 -0.701357D+00 -0.248273D+00 -0.634665D+00
      3  -0.643952D+00 -0.701357D+00 -0.686130D+00 -0.320077D+01 -0.204410D-01
               171           172           173           174           175 
      1  -0.320077D+01  0.314000D+01  0.156608D+01 -0.263159D+01  0.126423D+01
      2  -0.204410D-01  0.156608D+01  0.197648D+01 -0.208559D+01  0.138510D+01
      3  -0.627125D+01 -0.263159D+01 -0.208559D+01  0.345849D+01 -0.158502D+01
               176           177           178           179           180 
      1   0.138510D+01 -0.158502D+01 -0.145490D+01 -0.923602D+00  0.149131D+01
      2   0.240184D+01 -0.194510D+01 -0.923602D+00 -0.120349D+01  0.172452D+01
      3  -0.194510D+01  0.261182D+01  0.149131D+01  0.172452D+01 -0.408547D+01
               181           182           183           184           185 
      1   0.457370D+01  0.100887D+01  0.146204D+01  0.160114D+01  0.564798D+00
      2   0.100887D+01  0.101208D+01 -0.279367D+00  0.564798D+00 -0.104719D+00
      3   0.146204D+01 -0.279367D+00  0.316971D+01 -0.416030D-01  0.521693D+00
               186           187           188           189           190 
      1  -0.416030D-01  0.182567D+01  0.104324D+00  0.153118D+01 -0.385218D+00
      2   0.521693D+00  0.104324D+00  0.657470D+00  0.521829D+00 -0.751890D+00
      3   0.136828D+01  0.153118D+01  0.521829D+00  0.224924D+01  0.889184D+00
               191           192           193           194           195 
      1  -0.751890D+00  0.889184D+00 -0.124720D+01 -0.107909D+01  0.415805D+00
      2  -0.387833D+00  0.123726D+00 -0.107909D+01 -0.828907D+01  0.327254D+01
      3   0.123726D+00 -0.481583D+00  0.415805D+00  0.327254D+01 -0.280430D+01
               196           197           198           199           200 
      1   0.433603D+00  0.652984D-01 -0.336022D+00 -0.467550D+01  0.804870D+00
      2   0.652984D-01  0.104744D+01 -0.113423D+01  0.804870D+00 -0.118723D+01
      3  -0.336022D+00 -0.113423D+01  0.103144D+01  0.359196D+01 -0.349100D+00
               201           202           203           204           205 
      1   0.359196D+01  0.201349D+01 -0.992654D+00 -0.127123D+01  0.252418D+01
      2  -0.349100D+00 -0.992654D+00  0.249294D+00  0.114032D+01 -0.419344D+00
      3  -0.410514D+01 -0.127123D+01  0.114032D+01  0.208626D+01 -0.261698D+01
               206           207           208           209           210 
      1  -0.419344D+00 -0.261698D+01 -0.118736D+01  0.472178D+00 -0.110144D+01
      2   0.834711D+00  0.640069D+00  0.472178D+00 -0.101221D+00 -0.231613D-01
      3   0.640069D+00  0.394981D+01 -0.110144D+01 -0.231613D-01 -0.154057D+01
               211           212           213           214           215 
      1   0.118610D+01 -0.287252D+00  0.138146D+00 -0.264736D+01 -0.553939D+00
      2  -0.287252D+00 -0.322305D+00 -0.697290D+00 -0.553939D+00 -0.123870D+01
      3   0.138146D+00 -0.697290D+00  0.795884D+00 -0.246470D+01  0.257039D+00
               216           217           218           219           220 
      1  -0.246470D+01 -0.837209D+01  0.651804D+00  0.213125D+01  0.350659D+01
      2   0.257039D+00  0.651804D+00 -0.109790D+01 -0.266346D+00 -0.127737D+01
      3  -0.666453D+01  0.213125D+01 -0.266346D+00 -0.160729D+01 -0.601682D+00
               221           222           223           224           225 
      1  -0.127737D+01 -0.601682D+00  0.457036D+01 -0.630280D-01 -0.201516D+01
      2   0.109814D+00  0.516022D+00 -0.630280D-01  0.951714D+00  0.379462D+00
      3   0.516022D+00  0.930236D+00 -0.201516D+01  0.379462D+00  0.133957D+01
               226           227           228           229           230 
      1  -0.905439D+00 -0.737819D+00  0.359318D+00 -0.249818D+01 -0.304619D+01
      2  -0.737819D+00 -0.261176D+00  0.518795D-01 -0.304619D+01 -0.929412D+01
      3   0.359318D+00  0.518795D-01 -0.695508D-01 -0.128588D+00  0.228473D+00
               231           232           233           234 
      1  -0.128588D+00  0.891151D+00  0.309287D+00 -0.611925D+00
      2   0.228473D+00  0.309287D+00  0.810596D+00 -0.829432D+00
      3  -0.113970D+01 -0.611925D+00 -0.829432D+00 -0.121531D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1   0.144687D+01  0.999686D+00  0.104164D+00  0.263749D+01  0.948193D+01
      2   0.237294D+01 -0.199919D+01 -0.274060D+01 -0.335802D-01  0.911001D+01
      3  -0.284551D+01 -0.386384D+01  0.161254D+01  0.233789D+01 -0.433149D+02
                 6             7             8             9            10 
      1  -0.148472D+01  0.105303D+01  0.496643D+01  0.208184D+00 -0.799238D+00
      2   0.104652D+02 -0.924062D+01  0.139451D+02  0.150014D+02 -0.807823D+00
      3  -0.121972D+02  0.161520D+01 -0.956041D+01 -0.136177D+02  0.361224D+01
                11            12            13            14            15 
      1  -0.695716D+01 -0.359536D+01 -0.350472D+01 -0.167852D+02  0.490962D+00
      2   0.277541D+01  0.274076D+01  0.490751D+00 -0.442094D+01 -0.205621D+01
      3  -0.552975D+01 -0.324886D+01  0.351203D+01  0.943306D+01  0.585877D+01
                16            17            18            19            20 
      1  -0.538716D+01  0.170218D+02  0.135381D+02 -0.159345D+01 -0.207909D+01
      2  -0.497629D+00 -0.283985D+01 -0.548809D+01 -0.134820D+01  0.573655D+01
      3  -0.168223D+01  0.938772D+01  0.105625D+02  0.109901D+02 -0.668163D+01
                21            22            23            24            25 
      1  -0.407169D+00 -0.234787D+01 -0.120244D+02 -0.211643D+01 -0.280171D+01
      2   0.124839D+01  0.459513D+01 -0.105025D+02 -0.114532D+02 -0.525337D+01
      3  -0.443004D+01  0.224659D+01  0.421757D+02  0.135502D+02 -0.286132D+01
                26            27            28            29            30 
      1   0.452556D+01  0.274352D+01 -0.148792D+01 -0.572197D+01 -0.457279D+01
      2  -0.106031D+02 -0.162371D+02 -0.526674D+01 -0.897499D+01 -0.585054D+01
      3   0.136402D+02  0.110737D+02  0.103196D+02 -0.112442D+01  0.103885D+02
                31            32            33            34            35 
      1  -0.300237D+01 -0.632850D+01  0.199541D+01 -0.995954D+01  0.133424D+02
      2  -0.815721D+01 -0.270191D+01  0.385551D+01 -0.158256D+02  0.130921D+02
      3   0.135316D+02 -0.288160D+02  0.536511D+01  0.103751D+02  0.101357D+02
                36            37            38            39            40 
      1   0.944339D+01 -0.369362D+00  0.679223D+00  0.451553D+01 -0.435648D+01
      2   0.143137D+02  0.839130D+01  0.312448D+01  0.365692D+01 -0.290980D+01
      3  -0.397110D+01 -0.135600D+02 -0.833417D+01 -0.126107D+01  0.752938D+01
                41            42            43            44            45 
      1   0.715627D+00 -0.104357D+02  0.730530D+01  0.683900D+00  0.479969D+01
      2   0.263192D+01 -0.453836D+01 -0.926874D+01 -0.407671D+01  0.420127D+01
      3   0.204359D+01  0.281657D+01  0.434844D+01 -0.592922D+00 -0.612473D+01
                46            47            48            49            50 
      1   0.384998D+01 -0.438009D+00 -0.197310D+01 -0.796939D+00 -0.125599D+01
      2  -0.126853D+02 -0.275925D+01  0.636308D+01  0.100597D+01 -0.147108D+01
      3   0.116948D+02 -0.510961D+01 -0.156889D+01 -0.266689D+01 -0.152524D+02
                51            52            53            54            55 
      1  -0.212283D+01 -0.233824D+01  0.679024D+01 -0.295571D+01  0.279077D+01
      2  -0.818351D+00  0.136594D-01 -0.310424D+01  0.628666D+01  0.276137D+01
      3   0.209851D+01 -0.712182D+01  0.222955D+01  0.482271D+01 -0.358203D+01
                56            57            58            59            60 
      1   0.229912D+01  0.593129D+01  0.274956D+01  0.357163D+01 -0.630887D+01
      2   0.169082D+01  0.396059D+01  0.143651D+01  0.237735D+01 -0.340707D+01
      3  -0.532877D+01 -0.341664D+01  0.350239D+01  0.115929D+02 -0.487158D+01
                61            62            63            64            65 
      1   0.415790D+01  0.331524D+00 -0.840233D+01 -0.266051D+01  0.298759D+01
      2  -0.242200D+01 -0.245258D+01 -0.469208D+01 -0.120043D+01 -0.412409D+01
      3  -0.481861D+01 -0.600793D+01 -0.110125D+01  0.227351D+01 -0.410498D+01
                66            67            68            69            70 
      1  -0.120702D+02  0.599945D+01 -0.145822D+01  0.690186D+01 -0.100279D+02
      2   0.990314D+01 -0.903569D+00 -0.419333D+01  0.139074D+02  0.326137D+01
      3   0.641802D+01 -0.178973D+01 -0.198091D+01 -0.127947D+01  0.492020D+01
                71            72            73            74            75 
      1   0.738742D+01  0.214109D+01 -0.194400D+01  0.396703D+00 -0.304832D+01
      2   0.891371D+01  0.427927D+01 -0.648794D+00  0.109933D+01  0.606870D+01
      3   0.353162D+00  0.815418D+00  0.529048D+01 -0.239415D+01  0.142215D+01
                76            77            78            79            80 
      1  -0.346702D+00 -0.686452D+00 -0.121952D+01 -0.178215D+01  0.289319D+01
      2  -0.193823D+00  0.286071D+01  0.291131D+01  0.223030D+00 -0.153281D+01
      3   0.140590D+01 -0.250167D+01 -0.150316D+01  0.142195D+01 -0.413719D+01
                81            82            83            84            85 
      1  -0.119104D+01  0.170015D+01  0.262109D+01 -0.419957D-01  0.468402D+00
      2   0.132590D+01 -0.783390D+00 -0.351415D+00  0.144573D+01 -0.119123D+01
      3   0.143485D+01  0.213015D+01  0.941569D+00 -0.673244D+00  0.724141D+01
                86            87            88            89            90 
      1   0.126395D+02 -0.641091D+01  0.659125D+00 -0.722815D+01  0.255302D+01
      2   0.121664D+01  0.792631D+00 -0.700896D+00  0.910432D+00  0.335739D+00
      3  -0.542388D+01 -0.501365D+00 -0.282489D+01 -0.302410D+00 -0.192604D+01
                91            92            93            94            95 
      1  -0.306632D+01  0.169938D+01  0.410711D+01  0.287422D+00 -0.396400D+00
      2   0.225999D+01 -0.109517D+01 -0.809460D+00 -0.771050D+00  0.231498D+01
      3  -0.443291D+01  0.292753D+00  0.388473D+01  0.220651D+01 -0.411410D+01
                96            97            98            99           100 
      1  -0.281102D+01  0.321244D+01 -0.390742D+01 -0.170922D+02  0.370795D+01
      2   0.754720D+00 -0.566898D+01  0.285464D+01  0.434230D+01  0.737519D+01
      3  -0.262650D+01  0.780527D+01 -0.614901D+01 -0.702469D+01 -0.124622D+02
               101           102           103           104           105 
      1   0.924381D+00  0.266679D+01  0.753021D+00  0.121286D+01 -0.121516D+00
      2   0.319320D+00  0.810773D+01  0.183867D+01  0.140997D+01  0.224876D+01
      3  -0.573378D+01 -0.386313D+01 -0.315283D+01 -0.292174D+01 -0.227413D+01
               106           107           108           109           110 
      1   0.268630D+01  0.712098D+00  0.131013D+01 -0.238349D+01  0.162511D+01
      2   0.473203D+01  0.819641D-01  0.460353D+01 -0.294967D+01  0.237497D+01
      3  -0.509649D+01 -0.378319D+01 -0.208963D+01 -0.678231D+00 -0.221448D+01
               111           112           113           114           115 
      1   0.329933D+01  0.175979D+01 -0.705341D+00 -0.353143D+01  0.578697D+01
      2   0.537598D+01  0.256210D+01 -0.373509D+01 -0.468120D+01  0.604762D+01
      3  -0.131154D+01 -0.226621D+01  0.738592D+01  0.265222D+01 -0.170272D+01
               116           117           118           119           120 
      1  -0.380173D+01 -0.122764D+02  0.503805D+00  0.200661D+01 -0.512464D+00
      2  -0.872029D+01 -0.205481D+02  0.129722D+01  0.224657D+01  0.390649D+00
      3   0.587554D+01  0.512917D+01  0.233114D+01  0.551436D+01 -0.245262D+01
               121           122           123           124           125 
      1  -0.582434D+00  0.582928D+01 -0.569568D+01  0.137660D+01 -0.416408D+01
      2   0.130948D+01  0.467875D+01 -0.462740D+01  0.438146D+00 -0.536315D+01
      3   0.331343D+00  0.282767D+02 -0.583060D+01 -0.233017D+01 -0.999874D+01
               126           127           128           129           130 
      1   0.189917D+01  0.127777D+01 -0.312005D+00 -0.194760D+00 -0.550896D+00
      2   0.209381D+01  0.964595D+00 -0.863032D+00  0.110123D+01 -0.312957D+01
      3   0.533497D+01 -0.637512D+00 -0.354729D+00 -0.344758D+00  0.610284D+01
               131           132           133           134           135 
      1   0.569906D+01 -0.275987D+01 -0.196497D+00  0.330023D+01 -0.978730D+00
      2   0.687362D+00  0.715349D-01 -0.245426D+01 -0.401127D-02 -0.607524D+00
      3   0.532910D+00  0.279510D-02  0.951361D+00  0.509576D+00  0.216844D+00
               136           137           138           139           140 
      1  -0.115115D+02  0.521320D+00  0.214859D+01  0.309347D+01  0.133383D+02
      2   0.111185D+02  0.513741D+01  0.112737D+02  0.634679D+01  0.131043D+01
      3  -0.337821D+01  0.333715D+00  0.490971D+01  0.662177D+01  0.882316D+01
               141           142           143           144           145 
      1  -0.119126D+02  0.846327D+00 -0.401821D+01 -0.304485D+01 -0.278527D+01
      2   0.123583D+01  0.682780D+01  0.303166D+01 -0.391634D+01  0.121145D+02
      3  -0.408590D+01  0.429660D+01 -0.266506D+01 -0.356843D+01 -0.136220D+02
               146           147           148           149           150 
      1   0.959822D-01  0.274257D+01 -0.674770D+00 -0.377043D+01 -0.379887D+01
      2  -0.128005D+01 -0.578729D+01 -0.283704D+01  0.283001D+01  0.542730D+01
      3   0.344750D+01  0.407626D+01  0.125512D+02  0.223318D+02 -0.255880D+01
               151           152           153           154           155 
      1   0.433443D+01  0.624944D+00  0.805845D+01 -0.124222D+01  0.634049D+00
      2  -0.144892D+02  0.407543D+01 -0.166019D+02 -0.123710D+01  0.771763D+00
      3   0.517271D+01 -0.294725D+01 -0.789790D+01 -0.750153D+01 -0.195211D+01
               156           157           158           159           160 
      1   0.301371D+01  0.374531D+00 -0.150581D+01 -0.337494D+01  0.129289D+01
      2   0.381959D+01  0.336619D+00 -0.993252D+00 -0.228745D+01 -0.167424D+00
      3   0.271406D+00  0.441273D+01  0.843944D+00  0.648230D+00  0.560964D+00
               161           162           163           164           165 
      1  -0.252547D+00  0.382639D+00  0.369420D+01  0.421446D+01  0.408704D+01
      2  -0.772634D+00  0.163219D+00 -0.103658D+02 -0.173927D+01 -0.321822D+01
      3   0.121649D+01 -0.359980D+00 -0.336247D+01 -0.291520D+01 -0.224773D+01
               166           167           168           169           170 
      1   0.184604D+01  0.193890D+01  0.225904D+00  0.354822D+01  0.349994D+01
      2  -0.252995D+01 -0.959030D+00 -0.152804D+01 -0.736754D+01 -0.138882D+01
      3   0.587476D+00 -0.157919D+00 -0.426924D+00 -0.155913D+01 -0.183316D+01
               171           172           173           174           175 
      1   0.364106D+01 -0.154925D+01 -0.478260D+01  0.453249D+00 -0.237445D+01
      2  -0.276063D+01  0.950046D+01  0.354810D+01 -0.396048D+01  0.439126D+01
      3  -0.156943D+01  0.448671D+01  0.367492D+00 -0.243756D+01  0.405708D+01
               176           177           178           179           180 
      1  -0.370967D+01 -0.414976D+00  0.105017D+01  0.295281D+01 -0.535523D+00
      2   0.354419D+01 -0.401267D+01 -0.539134D+01 -0.315577D+01  0.382295D+01
      3   0.833404D+00 -0.206152D+01 -0.256286D+01 -0.278814D+00  0.215328D+01
               181           182           183           184           185 
      1   0.610067D+01  0.430053D+01  0.122033D+01  0.311531D+01  0.161058D+01
      2  -0.181686D+02 -0.425504D+01 -0.336549D+01 -0.587776D+01 -0.221433D+01
      3  -0.274899D+01 -0.144716D+01 -0.111963D+01  0.931840D+00 -0.210163D+00
               186           187           188           189           190 
      1   0.786888D+00  0.222125D+01  0.289190D+01  0.234259D+01 -0.242321D+00
      2  -0.436720D+00 -0.730805D+01 -0.102735D+01 -0.465397D+01 -0.749488D+00
      3   0.682232D-01 -0.767515D+00 -0.651975D+00 -0.637278D+00 -0.708650D+00
               191           192           193           194           195 
      1  -0.773379D+00 -0.639034D+00 -0.179820D+01 -0.158299D+02  0.528586D+00
      2   0.874936D+00 -0.196626D+00  0.313827D+01 -0.217477D+01  0.300582D+01
      3  -0.739820D+00 -0.479771D+00  0.323936D+01 -0.975826D+01  0.382498D+01
               196           197           198           199           200 
      1  -0.223018D-01  0.319056D+01 -0.158656D+01  0.543662D+01 -0.477724D+01
      2  -0.158051D+01  0.678254D+00 -0.564514D+00  0.605656D+01 -0.181601D+01
      3  -0.478924D+00  0.123316D+01 -0.994031D+00  0.432972D+01 -0.440984D+01
               201           202           203           204           205 
      1  -0.424423D+01 -0.277910D+01  0.239140D+01  0.286440D+01 -0.344061D+01
      2   0.606380D+00 -0.319391D+01 -0.704606D-01 -0.128541D+01 -0.506794D+01
      3  -0.352246D+01 -0.150441D+01  0.187879D+01  0.239372D+01 -0.255089D+01
               206           207           208           209           210 
      1   0.391751D+01  0.485581D+01 -0.190833D+01  0.123202D+00 -0.131441D+01
      2   0.150212D+00 -0.124530D+00  0.257484D+01  0.937868D+00  0.430598D+01
      3   0.233370D+01  0.319493D+01  0.225783D+01 -0.123488D+01  0.955393D+00
               211           212           213           214           215 
      1  -0.150822D+00 -0.813073D+00  0.103485D+01 -0.138510D+01  0.430170D+01
      2   0.163388D+01  0.216640D+01 -0.349310D+01  0.143646D+01 -0.269557D+01
      3  -0.507831D+00 -0.338397D-01 -0.200485D+01  0.883236D+00 -0.430437D+01
               216           217           218           219           220 
      1  -0.856495D+01  0.228930D+01 -0.633242D+00 -0.159812D+01 -0.510579D+00
      2   0.204826D+02 -0.914959D+01  0.131734D+01  0.904672D+01  0.285278D+01
      3   0.401841D+01  0.117367D+02 -0.674773D+01 -0.341523D+01 -0.546460D+01
               221           222           223           224           225 
      1   0.819447D+00 -0.265062D+00 -0.199464D+01  0.115359D+01  0.712657D+00
      2  -0.204272D+01 -0.405550D+01  0.590005D+01 -0.127500D+01 -0.552125D+01
      3   0.255020D+01  0.220564D+01 -0.501039D+01  0.444795D+01  0.360169D+01
               226           227           228           229           230 
      1   0.745071D+00  0.346273D+00 -0.777569D-01  0.452159D+00  0.369317D+01
      2  -0.118687D+01 -0.369648D+00  0.138258D+01 -0.209707D+00 -0.165935D+01
      3  -0.170133D+01 -0.174217D+01 -0.473307D+00 -0.210654D+01 -0.244477D+02
               231           232           233           234 
      1  -0.491313D+01 -0.426580D+00 -0.497087D-01  0.326550D+00
      2   0.400464D+01  0.933652D+00  0.150974D+01  0.223985D+00
      3   0.976775D+00 -0.983072D+00  0.184958D+01 -0.147631D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1  -0.164885D+02  0.406584D+01 -0.245332D+01  0.744028D+01 -0.276983D+02
      2   0.115771D+02 -0.127767D+01  0.278682D+01  0.944516D-01  0.328856D+02
      3   0.491141D+01 -0.278817D+01 -0.333507D+00 -0.753473D+01 -0.518727D+01
      4  -0.684275D+01  0.942764D+00 -0.117987D+02 -0.334842D+01  0.503041D+02
      5  -0.175362D+02 -0.757381D+01 -0.574745D+01 -0.121674D+02  0.415299D+01
      6  -0.544158D+01 -0.825492D+01 -0.541926D+01 -0.525174D+01  0.639219D+01
                 6             7             8             9            10 
      1  -0.128744D+02 -0.476972D+01 -0.143299D+02 -0.183795D+02  0.341405D+01
      2   0.973835D+01  0.259029D+01  0.180402D+01  0.235519D+01  0.868462D+00
      3   0.313600D+01  0.217943D+01  0.125259D+02  0.160243D+02 -0.428252D+01
      4   0.399687D+01 -0.200585D+02  0.188369D+01  0.109110D+02 -0.239763D+01
      5   0.531725D+01 -0.443266D+01  0.675410D+01  0.906796D+01  0.253593D+01
      6   0.724676D+01 -0.366433D+01  0.117228D+02  0.561299D+01  0.134668D+01
                11            12            13            14            15 
      1  -0.500705D+01 -0.998325D+01  0.113782D+01  0.407669D+02  0.278433D+01
      2  -0.400925D+01  0.100285D+02 -0.597420D+01 -0.598207D+02  0.645954D+01
      3   0.901630D+01 -0.452643D-01  0.483638D+01  0.190538D+02 -0.924387D+01
      4   0.341227D+01  0.410791D+01  0.865801D+01 -0.188050D+02  0.433691D+01
      5   0.135631D+01 -0.152726D+01  0.327366D+01  0.301566D+00  0.261934D+01
      6   0.156644D+02  0.124949D+02  0.664065D+01  0.512810D+01 -0.607495D+01
                16            17            18            19            20 
      1  -0.993500D+01 -0.651710D+00  0.207986D+02  0.165372D+02 -0.225046D+01
      2   0.577565D+01  0.224629D+02 -0.757717D+01 -0.131216D+02 -0.136239D+01
      3   0.415934D+01 -0.218112D+02 -0.132214D+02 -0.341559D+01  0.361285D+01
      4   0.442790D+01  0.824364D+01  0.405048D+01 -0.551965D+01  0.690756D+01
      5   0.368463D+00  0.554452D+01  0.644976D+01  0.180212D+01  0.833976D+01
      6   0.120979D+02 -0.202022D+02 -0.261646D+02 -0.236856D+01 -0.616340D+01
                21            22            23            24            25 
      1   0.458958D+01  0.574419D+00  0.119864D+02  0.114782D+02 -0.285741D+01
      2  -0.360169D+01 -0.196104D+01 -0.755902D+01 -0.171673D+01 -0.721459D+00
      3  -0.987886D+00  0.138662D+01 -0.442743D+01 -0.976148D+01  0.357887D+01
      4   0.594589D+01  0.195650D+01 -0.533085D+02 -0.148688D+02 -0.128632D+01
      5   0.485585D+01  0.492001D+01 -0.100612D+02 -0.104264D+02  0.140486D+02
      6   0.954152D-01 -0.955587D+00 -0.743965D+01 -0.117358D+01 -0.101534D+01
                26            27            28            29            30 
      1   0.983446D+01  0.111240D+02 -0.337988D+02 -0.132480D+01 -0.157779D+02
      2  -0.987557D+01 -0.125069D+02  0.257614D+02 -0.638704D+01  0.102680D+02
      3   0.411027D-01  0.138287D+01  0.803734D+01  0.771184D+01  0.550991D+01
      4  -0.167598D+02 -0.129520D+02 -0.228813D+01  0.123198D+01 -0.105482D+02
      5  -0.101576D+02 -0.134834D+02 -0.114201D+02 -0.144652D+02 -0.158742D+02
      6   0.479289D+01 -0.497811D+01  0.195892D+01  0.846874D+01  0.677671D+01
                31            32            33            34            35 
      1  -0.147992D+02  0.111137D+02 -0.168642D+02 -0.184994D+02 -0.206743D+02
      2   0.663959D+01 -0.238535D+02  0.163115D+02  0.724830D+01  0.249990D+02
      3   0.815958D+01  0.127397D+02  0.552664D+00  0.112511D+02 -0.432472D+01
      4  -0.417066D+01  0.377194D+02  0.195554D+01 -0.125913D+02  0.962930D+00
      5  -0.138852D+02 -0.425744D+01  0.997544D+01 -0.263128D+02  0.239801D+02
      6   0.241163D+01  0.120840D+02 -0.762371D+01  0.127437D+02 -0.169174D+02
                36            37            38            39            40 
      1  -0.134075D+02 -0.110588D+02 -0.363251D+01  0.103790D+01 -0.126121D+02
      2   0.101507D+02  0.828504D+01  0.336520D+01 -0.225868D+01  0.107006D+01
      3   0.325676D+01  0.277372D+01  0.267303D+00  0.122078D+01  0.115420D+02
      4   0.210631D+02  0.542452D+01  0.249700D+01  0.439446D+01  0.152008D+01
      5   0.299631D+02  0.386054D+01 -0.470604D+00  0.386715D+00 -0.803341D+00
      6  -0.168756D+02  0.616620D+01  0.449215D+00  0.318718D+01 -0.457409D-01
                41            42            43            44            45 
      1   0.204153D+02  0.416009D+01  0.902571D+01  0.116263D+02  0.780020D+00
      2  -0.126804D+02 -0.957413D+01 -0.261823D+01 -0.136001D+02  0.387802D+01
      3  -0.773491D+01  0.541404D+01 -0.640747D+01  0.197383D+01 -0.465804D+01
      4  -0.778878D+01 -0.137323D+01  0.838948D+01 -0.518409D-01  0.141095D+01
      5   0.121181D+01  0.472697D+01 -0.488252D+01  0.108426D+01 -0.926756D+00
      6  -0.130248D+02 -0.172738D+02 -0.465380D+00 -0.100467D+02  0.286527D+01
                46            47            48            49            50 
      1   0.203273D+01 -0.772435D+01 -0.132831D+02 -0.967747D+01 -0.449839D+01
      2  -0.771143D+01  0.189221D+01  0.998418D+01  0.802459D+01  0.447810D+01
      3   0.567871D+01  0.583214D+01  0.329887D+01  0.165288D+01  0.202969D-01
      4  -0.139253D+02  0.346865D+01 -0.859413D+01  0.574431D+01  0.179485D+02
      5  -0.162034D+02 -0.420525D+01  0.790804D+01  0.107771D+01 -0.588426D+01
      6  -0.909800D+01 -0.220996D+00  0.123812D+01 -0.892868D+00 -0.374482D+01
                51            52            53            54            55 
      1  -0.533456D+01 -0.190033D+02 -0.725377D+01  0.921689D+01 -0.102626D+02
      2  -0.219789D+01  0.103259D+02  0.327259D+01 -0.519728D+01 -0.436126D+01
      3   0.753244D+01  0.867741D+01  0.398118D+01 -0.401961D+01  0.146239D+02
      4  -0.755721D+01 -0.709435D+01 -0.862597D+01  0.220565D+01  0.220985D+02
      5  -0.391634D+01  0.105063D+02 -0.531200D+00  0.337915D+01  0.223720D+00
      6   0.776698D+01  0.515950D+01 -0.199235D-01  0.259927D+01  0.171670D+01
                56            57            58            59            60 
      1   0.792698D+01  0.341609D+01  0.405322D+01 -0.129116D+02  0.264097D+01
      2   0.502617D+01 -0.985424D+01  0.414138D+01  0.920046D+01 -0.544444D+00
      3  -0.129531D+02  0.643815D+01 -0.819461D+01  0.371119D+01 -0.209653D+01
      4  -0.236840D+02  0.152213D+01 -0.214003D+02  0.767475D+01  0.317869D+01
      5   0.174519D+01  0.436129D+00 -0.200054D+01  0.233158D+01  0.721011D+00
      6  -0.955458D+01 -0.554097D+01 -0.563333D+01  0.297104D+01 -0.264834D-01
                61            62            63            64            65 
      1   0.823565D+00  0.560557D+01  0.129219D+01  0.753314D+01  0.810772D+01
      2  -0.501690D+01 -0.735593D+01  0.786873D+01  0.677968D+01  0.119520D+01
      3   0.419334D+01  0.175035D+01 -0.916092D+01 -0.143128D+02 -0.930292D+01
      4   0.429643D+01  0.460288D+01 -0.712194D+01 -0.453010D+01 -0.563502D+00
      5   0.308166D+01 -0.192667D+01 -0.129585D+01 -0.329306D+01  0.387383D+01
      6  -0.479523D+01  0.596684D+01  0.667791D+01  0.696066D+01  0.143984D+02
                66            67            68            69            70 
      1  -0.320510D+01  0.119770D+02 -0.236243D+01 -0.180034D+01  0.152375D+01
      2   0.145460D+02  0.386208D+01 -0.237218D+01 -0.211682D+01  0.105993D+02
      3  -0.113409D+02 -0.158390D+02  0.473461D+01  0.391716D+01 -0.121231D+02
      4   0.318915D+01  0.248724D+01 -0.305767D+01  0.856284D+01 -0.228490D+01
      5  -0.185617D+02  0.159290D+01  0.569396D+01 -0.138847D+02 -0.135505D+02
      6  -0.107435D+02  0.127911D+02 -0.460449D+01  0.476566D+01 -0.477145D+01
                71            72            73            74            75 
      1  -0.674599D+01 -0.426758D+01  0.350997D+02  0.949740D+01  0.102587D+02
      2   0.481664D+01 -0.841340D+00 -0.195260D+02 -0.422237D+01 -0.928337D+01
      3   0.192934D+01  0.510892D+01 -0.155737D+02 -0.527503D+01 -0.975322D+00
      4   0.537041D+01 -0.483483D+00  0.270792D+02  0.153663D+02  0.116776D+02
      5  -0.608237D+01 -0.498961D+01  0.235200D+02  0.908794D+01  0.171858D+02
      6  -0.412727D+00  0.189240D+01  0.781222D+01  0.526626D+01  0.590433D+01
                76            77            78            79            80 
      1   0.464289D+01  0.366972D+00 -0.563946D+00  0.119693D+02  0.317670D+01
      2  -0.741485D+00  0.268418D+01  0.336328D+00 -0.833042D+01  0.884241D+00
      3  -0.390141D+01 -0.305116D+01  0.227617D+00 -0.363886D+01 -0.406094D+01
      4   0.132631D+02  0.123041D+02  0.861223D+01  0.136949D+02  0.129225D+02
      5   0.630217D+01  0.769384D+01  0.666093D+01  0.149880D+02  0.535535D+01
      6   0.489124D+01  0.662700D+01  0.572289D+01  0.600081D+01  0.495560D+01
                81            82            83            84            85 
      1   0.519142D+01 -0.121706D+01 -0.493244D+01  0.370454D+00 -0.199562D+01
      2  -0.548942D+01  0.671231D+01  0.124110D+02 -0.525975D+00  0.728560D+01
      3   0.297996D+00 -0.549525D+01 -0.747856D+01  0.155521D+00 -0.528998D+01
      4   0.794892D+01  0.584272D+01  0.141517D+02 -0.137918D+01  0.828644D+01
      5   0.107985D+02 -0.317838D+00  0.486219D+00  0.234174D+01 -0.233483D-01
      6   0.509212D+01 -0.141385D+01 -0.108913D+01 -0.126058D+00 -0.432751D+00
                86            87            88            89            90 
      1  -0.457467D+02  0.222001D+01  0.142109D+01  0.122481D+02 -0.765920D+01
      2   0.820273D+02 -0.604007D+01 -0.215024D+01 -0.243199D+02  0.808329D+01
      3  -0.362805D+02  0.382006D+01  0.729153D+00  0.120718D+02 -0.424092D+00
      4   0.199531D+02 -0.195204D+01 -0.330409D+01 -0.592450D+01  0.206625D+01
      5   0.101244D+00  0.677364D+00  0.162543D+01  0.894014D+00 -0.157295D+01
      6  -0.509018D+01  0.873541D+01 -0.597611D+00  0.142994D+02 -0.237662D+01
                91            92            93            94            95 
      1  -0.208945D+01  0.355912D+01  0.528043D+01  0.153656D+01 -0.143933D+02
      2  -0.145596D+01 -0.201391D+01 -0.225112D+01 -0.149024D+01  0.156771D+02
      3   0.354541D+01 -0.154521D+01 -0.302931D+01 -0.463195D-01 -0.128383D+01
      4  -0.338787D+01  0.516948D+01  0.482153D+01  0.137512D+01  0.104832D+01
      5  -0.310453D+01  0.339386D+01  0.683331D+01  0.829264D+00 -0.921134D+00
      6   0.582238D+01 -0.686402D+01 -0.831181D+01 -0.337991D+01  0.108389D+02
                96            97            98            99           100 
      1  -0.821432D+01  0.700391D+01 -0.178981D+02 -0.271918D+02  0.679520D+02
      2   0.585874D+01 -0.147934D+01  0.793200D+01  0.185500D+01 -0.375909D+02
      3   0.235558D+01 -0.552457D+01  0.996615D+01  0.253368D+02 -0.303611D+02
      4  -0.130553D+01  0.381157D+01 -0.181659D+01 -0.191425D+01 -0.103905D+02
      5  -0.119537D+01  0.575694D+01 -0.278018D+01 -0.405696D+01  0.163119D+02
      6   0.129850D+02 -0.744834D+01  0.268343D+02  0.381781D+02 -0.531140D+01
               101           102           103           104           105 
      1   0.208632D+01  0.151745D+02  0.208193D+02  0.368607D+01  0.469900D+01
      2  -0.315322D+01 -0.940335D+01 -0.122655D+02 -0.103559D+01 -0.416195D+01
      3   0.106690D+01 -0.577115D+01 -0.855385D+01 -0.265048D+01 -0.537048D+00
      4   0.912963D+01 -0.200425D+01  0.463116D+01  0.365512D+01  0.256976D+01
      5   0.263659D+00  0.147307D+02  0.490135D+01  0.305634D+01  0.412065D+01
      6  -0.136804D+00 -0.494458D+01 -0.587591D+00 -0.813835D+00  0.713694D+00
               106           107           108           109           110 
      1   0.260154D+02  0.676429D+00  0.111774D+02  0.147353D+02 -0.488123D+01
      2  -0.160885D+02 -0.310034D+01 -0.956080D+01 -0.101659D+02  0.304216D+01
      3  -0.992690D+01  0.242391D+01 -0.161660D+01 -0.456938D+01  0.183907D+01
      4  -0.521017D+01  0.544209D+01 -0.271916D+01 -0.894645D+01  0.619560D+01
      5   0.173706D+02 -0.913982D+00  0.997951D+01 -0.117223D+02  0.735303D+01
      6  -0.424430D+01  0.253613D+01 -0.185241D+01  0.485499D+01 -0.361269D+01
               111           112           113           114           115 
      1  -0.727415D+01 -0.207572D+01 -0.516728D+00  0.171171D+01 -0.161821D+02
      2   0.510483D+01 -0.382960D+00  0.505786D+01 -0.147279D+00  0.122139D+02
      3   0.216932D+01  0.245868D+01 -0.454113D+01 -0.156443D+01  0.396813D+01
      4   0.802858D+01  0.110494D+02 -0.167361D+02 -0.926725D+01  0.200711D+02
      5   0.149294D+02  0.648146D+01 -0.826079D+01 -0.975863D+01  0.266853D+02
      6  -0.555378D+01 -0.419405D+01  0.500616D+01  0.987675D+01 -0.118066D+02
               116           117           118           119           120 
      1   0.630676D+01  0.413731D+01 -0.631533D+00 -0.881067D+01  0.388859D+01
      2  -0.460190D+01 -0.135464D+02  0.116897D+01  0.109128D+02 -0.242217D+01
      3  -0.170487D+01  0.940911D+01 -0.537436D+00 -0.210216D+01 -0.146643D+01
      4  -0.200047D+02 -0.201544D+02  0.204195D+00 -0.252711D+01  0.201653D+00
      5  -0.220756D+02 -0.443879D+02  0.174078D+01  0.182026D+01  0.135279D+01
      6   0.165729D+02  0.241398D+02 -0.159756D+01 -0.318896D+01  0.125746D+01
               121           122           123           124           125 
      1  -0.813174D+01 -0.203822D+02  0.731401D+01  0.552286D+01  0.100028D+02
      2   0.541318D+00  0.430205D+02 -0.944648D+01 -0.110000D+01 -0.155953D+02
      3   0.759043D+01 -0.226383D+02  0.213247D+01 -0.442286D+01  0.559247D+01
      4   0.150817D+02 -0.436894D+02  0.691530D+01 -0.367259D+01  0.133608D+02
      5   0.278076D+00  0.100104D+02 -0.892620D+01  0.653905D+01 -0.121429D+02
      6   0.221711D+01 -0.152634D+02  0.100457D+02 -0.342299D+01  0.142298D+02
               126           127           128           129           130 
      1  -0.326461D+01  0.518044D+00 -0.100015D+01 -0.301637D+00  0.371147D+00
      2   0.366006D+01  0.189188D+01  0.687849D+00  0.460941D+00 -0.141026D+01
      3  -0.395444D+00 -0.240992D+01  0.312302D+00 -0.159304D+00  0.103911D+01
      4  -0.952115D+01 -0.647658D+00  0.773713D+01  0.211926D+01  0.738662D+01
      5   0.194870D+01 -0.993227D+00  0.341473D+01  0.373583D+01  0.350992D+01
      6  -0.525838D+01  0.367515D+01 -0.158900D+00  0.912726D+00 -0.303143D+01
               131           132           133           134           135 
      1  -0.219075D+02 -0.105203D+02  0.282165D+00 -0.868995D+01 -0.998776D+01
      2   0.266392D+02  0.772526D+01  0.486308D+00  0.640261D+01  0.171653D+01
      3  -0.473171D+01  0.279508D+01 -0.768473D+00  0.228734D+01  0.827123D+01
      4  -0.145982D+01 -0.130591D+01  0.204955D+01 -0.126626D+01  0.286130D+00
      5  -0.205030D+01 -0.100768D+01  0.310477D+01 -0.839494D+00 -0.203730D+01
      6   0.246908D+02  0.164745D+02 -0.941637D+00  0.149168D+02  0.110290D+02
               136           137           138           139           140 
      1   0.602790D+01  0.605661D+01  0.111161D+02  0.899138D+01  0.125433D+02
      2   0.148434D+02 -0.501866D+01 -0.100263D+02 -0.976853D+01 -0.177369D+02
      3  -0.208713D+02 -0.103796D+01 -0.108981D+01  0.777149D+00  0.519365D+01
      4   0.913625D+01  0.298093D+01  0.232167D+01  0.384882D+00 -0.147674D+02
      5   0.128468D+02 -0.749051D+01 -0.201620D+02 -0.111070D+02  0.595881D+01
      6  -0.538301D+01  0.264182D+01  0.391200D+01  0.505420D+01  0.261935D+02
               141           142           143           144           145 
      1  -0.187200D+01  0.955259D+01  0.150326D+01 -0.135751D+02 -0.174956D+02
      2   0.157663D+02 -0.872329D+01  0.903199D+01  0.189169D+01  0.137636D+02
      3  -0.138943D+02 -0.829295D+00 -0.105353D+02  0.116834D+02  0.373205D+01
      4   0.670597D+01  0.379136D+01  0.466997D+01  0.152948D+01  0.198340D+02
      5   0.807598D+01 -0.197946D+02  0.437145D+01  0.419878D+01  0.237802D+02
      6  -0.884151D+01  0.124995D+01 -0.341531D+01 -0.110789D+02  0.684263D+01
               146           147           148           149           150 
      1   0.166259D+02  0.228585D+02  0.270470D+02  0.113201D+02 -0.293292D+01
      2  -0.101450D+02 -0.104535D+02 -0.202923D+02 -0.263956D+02  0.353321D+01
      3  -0.648092D+01 -0.124050D+02 -0.675474D+01  0.150755D+02 -0.600291D+00
      4   0.170970D+01  0.363398D+01 -0.470328D+01 -0.329970D+02  0.635406D+01
      5   0.122911D+01 -0.943198D+01 -0.143140D+01  0.576197D+01  0.913440D+01
      6   0.505807D+00 -0.197975D+01  0.341264D+00 -0.104239D+01  0.268387D+01
               151           152           153           154           155 
      1   0.275297D+02 -0.240920D+01 -0.126192D+02  0.221625D+02 -0.822187D+01
      2  -0.112721D+02  0.320433D+01  0.141009D+02 -0.433736D+00 -0.798872D+01
      3  -0.162576D+02 -0.795129D+00 -0.148175D+01 -0.217288D+02  0.162106D+02
      4   0.205303D+01  0.652369D+01  0.552938D+01 -0.332066D+02  0.286082D+02
      5  -0.145915D+02  0.702325D+01 -0.231879D+02  0.270502D+01 -0.242451D+01
      6  -0.368826D+01  0.373910D+01 -0.741600D+01 -0.318008D+01  0.334100D+01
               156           157           158           159           160 
      1  -0.634168D+00 -0.397113D+01 -0.769587D+00  0.121372D+00 -0.684688D+00
      2   0.864698D+00 -0.890464D+01  0.171365D+02  0.822328D+00  0.714265D+00
      3  -0.230531D+00  0.128758D+02 -0.163669D+02 -0.943699D+00 -0.295769D-01
      4  -0.946480D+00  0.230526D+02 -0.249181D+02  0.187483D+00 -0.198689D+00
      5   0.606875D+01 -0.180571D+01  0.130723D+01 -0.231774D+01  0.590473D+01
      6  -0.349854D+01  0.258640D+01 -0.312922D+01  0.519327D+01 -0.387179D+01
               161           162           163           164           165 
      1   0.105485D+00  0.135726D-01  0.266188D+01  0.145614D+01 -0.509408D+01
      2   0.139407D+01  0.307563D+00 -0.130525D+02 -0.188543D+01 -0.147828D+02
      3  -0.149956D+01 -0.321136D+00  0.103906D+02  0.429284D+00  0.198769D+02
      4  -0.475518D+00 -0.481050D+01 -0.119770D+01  0.386203D+01 -0.244383D+01
      5  -0.399150D+01  0.161301D+00  0.181977D+02  0.336954D+00  0.195841D+02
      6   0.613372D+01 -0.222343D+01 -0.360479D+01  0.287574D+01 -0.440565D+01
               166           167           168           169           170 
      1  -0.129121D+01 -0.725292D+00 -0.172988D+01 -0.248610D+01  0.737049D+00
      2  -0.213286D+01 -0.209094D+01 -0.314369D+01 -0.118355D+02 -0.124951D+01
      3   0.342407D+01  0.281624D+01  0.487357D+01  0.143216D+02  0.512463D+00
      4   0.285543D+01  0.463762D+00  0.139001D+01 -0.145829D+01  0.206084D+01
      5   0.161431D+01  0.311554D+01  0.296624D+01  0.167864D+02  0.149685D+01
      6   0.196941D+01  0.108584D+01  0.516590D+01 -0.194450D+01  0.535004D+01
               171           172           173           174           175 
      1  -0.134074D+02 -0.252138D+01 -0.632568D+01  0.922381D+01 -0.455751D+01
      2  -0.205027D+02 -0.344951D+01  0.144476D+01  0.366539D+01  0.453843D+00
      3   0.339101D+02  0.597089D+01  0.488092D+01 -0.128892D+02  0.410367D+01
      4  -0.181003D+01  0.614357D+01  0.548802D+01 -0.570907D+01  0.495980D+01
      5   0.213093D+02 -0.130209D+02 -0.658372D+01  0.141015D+02 -0.611906D+01
      6  -0.601046D+01 -0.914368D+01 -0.117912D+02  0.132245D+02 -0.832693D+01
               176           177           178           179           180 
      1  -0.908492D+01  0.947487D+01  0.402503D+01  0.691170D+01 -0.121686D+02
      2   0.692542D+01 -0.268398D-02  0.175230D+01 -0.919144D-02 -0.667318D+01
      3   0.215950D+01 -0.947218D+01 -0.577733D+01 -0.690251D+01  0.188418D+02
      4   0.399870D+01 -0.383731D+01 -0.252470D+01 -0.291113D+01  0.299429D+01
      5  -0.567171D+01  0.661419D+01  0.971392D+01  0.448287D+01 -0.849789D+01
      6  -0.129868D+02  0.139747D+02  0.642893D+01  0.101056D+02 -0.143386D+02
               181           182           183           184           185 
      1  -0.431957D+01 -0.223365D+00 -0.118237D+02 -0.229771D+01 -0.306393D+01
      2  -0.463935D+01 -0.532745D+00 -0.576839D+01  0.110009D+01  0.218566D+01
      3   0.895892D+01  0.756110D+00  0.175921D+02  0.119761D+01  0.878278D+00
      4  -0.766964D+01 -0.892736D+00 -0.260669D+01 -0.594223D+00  0.329522D+00
      5   0.116872D+02  0.228538D+01  0.624179D+01  0.435835D+01  0.671468D+00
      6   0.203022D+01  0.492954D+01 -0.310279D+01  0.220217D+01 -0.199125D+00
               186           187           188           189           190 
      1  -0.330329D+01 -0.633191D+01 -0.157753D+01 -0.765076D+01 -0.631513D+00
      2  -0.405280D+01 -0.346220D+01 -0.176700D+01 -0.679453D+01  0.439199D+00
      3   0.735609D+01  0.979411D+01  0.334453D+01  0.144453D+02  0.192314D+00
      4  -0.873171D+00 -0.277800D+01  0.146812D+00 -0.240307D+01  0.224730D+01
      5  -0.104918D+01  0.932026D+01  0.638823D+00  0.513882D+01 -0.307755D+01
      6   0.260324D+01 -0.314462D-01  0.367097D+01  0.933637D+00 -0.272708D+01
               191           192           193           194           195 
      1   0.146216D+01 -0.123489D+01  0.642494D+00 -0.210541D+02  0.119068D+02
      2  -0.770225D-01  0.160779D+01  0.168550D+01  0.298882D+02 -0.591875D+01
      3  -0.138514D+01 -0.372896D+00 -0.232799D+01 -0.883406D+01 -0.598803D+01
      4   0.640976D+01 -0.223740D+01  0.908468D+01  0.178526D+02 -0.664057D+01
      5  -0.285785D+01  0.532621D+01 -0.519098D+01 -0.630839D+01  0.582018D+01
      6  -0.189000D+01  0.622929D+00 -0.444540D+01 -0.349629D+02  0.200199D+02
               196           197           198           199           200 
      1  -0.527245D+00  0.474227D+01 -0.478346D+01  0.145574D+02 -0.274658D+01
      2   0.141406D+01 -0.795235D+00  0.713085D+00 -0.198756D+02  0.356767D+01
      3  -0.886815D+00 -0.394703D+01  0.407038D+01  0.531816D+01 -0.821085D+00
      4  -0.832333D+00 -0.211877D+01  0.249858D+01 -0.894780D+00  0.532553D+01
      5   0.383824D+01  0.195002D+01 -0.296932D+01 -0.280748D+02  0.443995D+01
      6   0.931424D+00  0.106089D+02 -0.657517D+01  0.320839D+01 -0.646258D+01
               201           202           203           204           205 
      1  -0.311215D+01 -0.500127D+01 -0.204845D+00 -0.244785D+00 -0.279629D+01
      2   0.169341D+02  0.703356D+01 -0.782741D+00 -0.852118D+01  0.121447D+02
      3  -0.138220D+02 -0.203229D+01  0.987586D+00  0.876597D+01 -0.934845D+01
      4   0.566299D-01  0.438796D+01 -0.257564D+01 -0.420599D+01 -0.805935D+00
      5   0.265493D+02  0.110914D+02 -0.631530D+01 -0.108613D+02  0.195826D+02
      6  -0.977625D+00 -0.522389D+01  0.202496D+01  0.637840D+01 -0.174186D+01
               206           207           208           209           210 
      1   0.137592D+00 -0.266065D+01  0.791227D+01 -0.225047D+01  0.467043D+01
      2  -0.383550D+01 -0.164028D+02 -0.733925D+01  0.135527D+01 -0.555223D+01
      3   0.369791D+01  0.190635D+02 -0.573028D+00  0.895201D+00  0.881803D+00
      4  -0.291824D+01 -0.106161D+01 -0.884024D+00  0.147177D+01  0.859804D+00
      5  -0.391057D+01 -0.217286D+02  0.702953D+01 -0.620712D+00  0.130943D+02
      6   0.577315D+01  0.181809D+01  0.725904D+00  0.401579D+00  0.211815D+01
               211           212           213           214           215 
      1  -0.689257D+01 -0.126952D+01 -0.622088D+00  0.123133D+02  0.911548D+00
      2   0.445842D+01  0.168841D+01  0.166047D+01 -0.995696D+01  0.174452D+01
      3   0.243415D+01 -0.418895D+00 -0.103838D+01 -0.235634D+01 -0.265607D+01
      4   0.226487D+01  0.133733D+01  0.359345D+01  0.463893D+01  0.745234D+01
      5  -0.192693D+01  0.296541D+01 -0.448304D+01  0.194716D+02 -0.679532D+00
      6   0.617527D+00 -0.212119D+00  0.264417D+01  0.472008D+01  0.433111D+01
               216           217           218           219           220 
      1   0.349103D+01  0.616501D+02 -0.673110D+01 -0.149254D+02 -0.226309D+02
      2  -0.165481D+02 -0.332026D+02  0.497872D+01  0.844911D+01  0.129862D+02
      3   0.130571D+02 -0.284475D+02  0.175238D+01  0.647626D+01  0.964474D+01
      4   0.206364D+00 -0.175607D+00  0.907818D+01  0.589537D+00  0.948920D+01
      5   0.368523D+02 -0.151112D+02  0.163263D+01  0.133777D+02  0.490088D+01
      6   0.107471D+02 -0.330641D+01  0.339100D+00  0.312955D+01 -0.332134D-01
               221           222           223           224           225 
      1   0.518575D+01  0.410166D+01 -0.287400D+02  0.174617D+01  0.109311D+02
      2  -0.198885D+00 -0.282197D+01  0.159997D+02 -0.225390D+01 -0.927127D+01
      3  -0.498687D+01 -0.127969D+01  0.127403D+02  0.507736D+00 -0.165980D+01
      4  -0.256923D+01 -0.367443D+01 -0.761067D+00 -0.669393D+01 -0.152925D+01
      5  -0.346793D+01 -0.634771D+01  0.162465D+02 -0.217896D+01 -0.104675D+02
      6   0.565650D+00  0.554939D+00  0.250882D+01  0.791289D+00 -0.101916D+01
               226           227           228           229           230 
      1   0.542960D+01  0.460491D+01 -0.214337D+01  0.700744D+01 -0.122145D+02
      2  -0.200063D-01 -0.149885D+01  0.116391D+01  0.533364D+01  0.378709D+02
      3  -0.540960D+01 -0.310606D+01  0.979461D+00 -0.123411D+02 -0.256564D+02
      4   0.443395D+01  0.865236D+01 -0.546071D+00  0.220795D+02  0.476231D+02
      5  -0.188731D+01  0.289120D+00  0.200045D+01  0.132947D+01 -0.113565D+01
      6  -0.545033D+00  0.106459D+00 -0.269699D+00  0.119091D+01  0.356124D+01
               231           232           233           234 
      1   0.116014D+01 -0.451458D+01  0.854401D+00 -0.287626D+00
      2  -0.159747D+01  0.117087D+01 -0.269344D+01  0.117385D+01
      3   0.437332D+00  0.334371D+01  0.183904D+01 -0.886222D+00
      4  -0.101855D+01 -0.236301D+01 -0.407528D+01  0.378019D+01
      5   0.674440D+01  0.440702D+01  0.417457D+01  0.833766D+00
      6   0.719816D+01  0.214975D+01  0.581228D+01 -0.762399D+00

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.684292D-01      0.173930D+00      0.580167D+00
   x         -0.401354D-01     -0.102014D+00     -0.340282D+00
   y         -0.467110D-01     -0.118727D+00     -0.396032D+00
   z         -0.298293D-01     -0.758186D-01     -0.252904D+00

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.111426D+03      0.165117D+02      0.183717D+02
   aniso      0.156479D+02      0.231878D+01      0.257999D+01
   xx         0.117628D+03      0.174307D+02      0.193943D+02
   yx        -0.373203D+00     -0.553030D-01     -0.615329D-01
   yy         0.114130D+03      0.169123D+02      0.188175D+02
   zx         0.401355D+00      0.594747D-01      0.661746D-01
   zy         0.433345D+01      0.642151D+00      0.714489D+00
   zz         0.102521D+03      0.151920D+02      0.169034D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  488.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.119216D+03      0.176659D+02      0.196560D+02
   aniso      0.166900D+02      0.247320D+01      0.275181D+01
   xx         0.125782D+03      0.186389D+02      0.207386D+02
   yx        -0.460208D+00     -0.681958D-01     -0.758781D-01
   yy         0.122129D+03      0.180977D+02      0.201364D+02
   zx         0.479139D+00      0.710011D-01      0.789994D-01
   zy         0.465578D+01      0.689915D+00      0.767634D+00
   zz         0.109736D+03      0.162612D+02      0.180930D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6          1.11970439          0.28759085         -3.25621449
     6         -1.12813503         -1.45880060         -3.09170145
     6          2.31428899          0.99568301         -1.15442982
     6          4.50336006          2.77770400         -1.07728152
     6          1.35558775         -0.10966715          1.30605507
     6         -1.60594247          0.11872988          1.44856461
     6         -1.59661981         -2.24152505         -0.34074717
     6          0.96616146         -2.98731495          0.86507126
     1          1.70352601          0.97621843         -5.09635134
     1         -0.81818787         -3.14500436         -4.25338500
     1         -2.80794615         -0.53424368         -3.87599503
     1          5.03322410          3.41539256         -2.96384426
     1          6.15359602          1.88972941         -0.20101976
     1          4.05278469          4.44084405          0.06844186
     1          2.44518721          0.51387979          2.94091691
     6         -2.86955020          2.54029520          0.55253151
     6         -2.61744122         -0.51606640          4.07881181
     1         -3.17968603         -3.55414210         -0.17674992
     1          0.75278542         -4.05901271          2.60330337
     1          2.34304751         -3.91610837         -0.35094306
     1         -2.19085586          3.16268051         -1.28411378
     1         -2.52916758          4.06706835          1.90231013
     1         -4.91448477          2.27232330          0.42907070
     1         -1.81228831         -2.23749301          4.86695002
     1         -4.66795611         -0.75681813          4.01471388
     1         -2.21208090          1.02492136          5.39274449

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.684292D-01      0.173930D+00      0.580167D+00
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.684292D-01      0.173930D+00      0.580167D+00

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.111426D+03      0.165117D+02      0.183717D+02
   aniso      0.156479D+02      0.231878D+01      0.257999D+01
   xx         0.113377D+03      0.168007D+02      0.186933D+02
   yx         0.664516D+01      0.984712D+00      0.109564D+01
   yy         0.105289D+03      0.156023D+02      0.173599D+02
   zx        -0.212896D+01     -0.315480D+00     -0.351018D+00
   zy         0.185281D+01      0.274559D+00      0.305488D+00
   zz         0.115613D+03      0.171320D+02      0.190620D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  488.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.119216D+03      0.176659D+02      0.196560D+02
   aniso      0.166900D+02      0.247320D+01      0.275181D+01
   xx         0.121268D+03      0.179701D+02      0.199945D+02
   yx         0.713735D+01      0.105765D+01      0.117679D+01
   yy         0.112700D+03      0.167005D+02      0.185818D+02
   zx        -0.219819D+01     -0.325738D+00     -0.362432D+00
   zy         0.194714D+01      0.288537D+00      0.321040D+00
   zz         0.123678D+03      0.183272D+02      0.203918D+02

 ----------------------------------------------------------------------

 Test job not archived.
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 In the beginning the Universe was created.
 This has made a lot of people very angry
 and been widely regarded as a bad move.
                               -D.Adams
 Job cpu time:       0 days 17 hours 24 minutes 16.6 seconds.
 Elapsed time:       0 days  2 hours 11 minutes 35.5 seconds.
 File lengths (MBytes):  RWF=    430 Int=      0 D2E=      0 Chk=     13 Scr=      2
 Normal termination of Gaussian 16 at Fri Jul 16 21:25:41 2021.
